4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine

C51H51F3N26S4 — CID 173006361

IUPAC4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)c(C(F)(F)F)s2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3N(C)C)cs2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3N3CCCCC3)cs2)n1.c1cnc(Nc2nc(-c3cn[nH]c3)cs2)nc1
InChIInChI=1S/C16H19N7S.C13H15N7S.C12H9F3N6S.C10H8N6S/c1-11-5-6-17-15(19-11)21-16-20-13(10-24-16)12-9-18-22-14(12)23-7-3-2-4-8-23;1-8-4-5-14-12(16-8)18-13-17-10(7-21-13)9-6-15-19-11(9)20(2)3;1-6-2-3-16-10(19-6)21-11-20-8(7-4-17-18-5-7)9(22-11)12(13,14)15;1-2-11-9(12-3-1)16-10-15-8(6-17-10)7-4-13-14-5-7/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,22)(H,17,19,20,21);4-7H,1-3H3,(H,15,19)(H,14,16,17,18);2-5H,1H3,(H,17,18)(H,16,19,20,21);1-6H,(H,13,14)(H,11,12,15,16)
InChIKeyKVIIVKXQDJGOPL-UHFFFAOYSA-N
MW1213.41 g/mol
LogP11.27
Rot. Bonds14

About 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine

4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine (PubChem CID 173006361) has the molecular formula C51H51F3N26S4 and a molecular weight of 1213.41 g/mol. Its IUPAC name is 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
PubChem CID173006361
Molecular FormulaC51H51F3N26S4
Molecular Weight1213.41 g/mol
Exact Mass1212.36
IUPAC Name4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)c(C(F)(F)F)s2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3N(C)C)cs2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3N3CCCCC3)cs2)n1.c1cnc(Nc2nc(-c3cn[nH]c3)cs2)nc1
InChIInChI=1S/C16H19N7S.C13H15N7S.C12H9F3N6S.C10H8N6S/c1-11-5-6-17-15(19-11)21-16-20-13(10-24-16)12-9-18-22-14(12)23-7-3-2-4-8-23;1-8-4-5-14-12(16-8)18-13-17-10(7-21-13)9-6-15-19-11(9)20(2)3;1-6-2-3-16-10(19-6)21-11-20-8(7-4-17-18-5-7)9(22-11)12(13,14)15;1-2-11-9(12-3-1)16-10-15-8(6-17-10)7-4-13-14-5-7/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,22)(H,17,19,20,21);4-7H,1-3H3,(H,15,19)(H,14,16,17,18);2-5H,1H3,(H,17,18)(H,16,19,20,21);1-6H,(H,13,14)(H,11,12,15,16)
InChIKeyKVIIVKXQDJGOPL-UHFFFAOYSA-N
XLogP11.27
TPSA324.00 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001213.41
LogP ≤ 511.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine (CID 173006361) is 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine is Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C(F)(F)F)s2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3N(C)C)cs2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3N3CCCCC3)cs2)n1.c1cnc(Nc2nc(-c3cn[nH]c3)cs2)nc1.
What is the InChIKey of 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
The InChIKey is KVIIVKXQDJGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7S.C13H15N7S.C12H9F3N6S.C10H8N6S/c1-11-5-6-17-15(19-11)21-16-20-13(10-24-16)12-9-18-22-14(12)23-7-3-2-4-8-23;1-8-4-5-14-12(16-8)18-13-17-10(7-21-13)9-6-15-19-11(9)20(2)3;1-6-2-3-16-10(19-6)21-11-20-8(7-4-17-18-5-7)9(22-11)12(13,14)15;1-2-11-9(12-3-1)16-10-15-8(6-17-10)7-4-13-14-5-7/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,22)(H,17,19,20,21);4-7H,1-3H3,(H,15,19)(H,14,16,17,18);2-5H,1H3,(H,17,18)(H,16,19,20,21);1-6H,(H,13,14)(H,11,12,15,16).
What are the key properties of 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine?
4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine has a molecular weight of 1213.41 g/mol, XLogP of 11.27, 14 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylamino)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-piperidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 173006361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).