N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C32H31N13S2 — CID 87097878

IUPACN-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3-c3ccccc3)cs2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3N3CCCC3)cs2)n1
InChIInChI=1S/C17H14N6S.C15H17N7S/c1-11-7-8-18-16(20-11)22-17-21-14(10-24-17)13-9-19-23-15(13)12-5-3-2-4-6-12;1-10-4-5-16-14(18-10)20-15-19-12(9-23-15)11-8-17-21-13(11)22-6-2-3-7-22/h2-10H,1H3,(H,19,23)(H,18,20,21,22);4-5,8-9H,2-3,6-7H2,1H3,(H,17,21)(H,16,18,19,20)
InChIKeyLAUKNDAIDGWZQG-UHFFFAOYSA-N
MW661.83 g/mol
LogP7.02
Rot. Bonds8

About N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine

N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 87097878) has the molecular formula C32H31N13S2 and a molecular weight of 661.83 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID87097878
Molecular FormulaC32H31N13S2
Molecular Weight661.83 g/mol
Exact Mass661.23
IUPAC NameN-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3-c3ccccc3)cs2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3N3CCCC3)cs2)n1
InChIInChI=1S/C17H14N6S.C15H17N7S/c1-11-7-8-18-16(20-11)22-17-21-14(10-24-17)13-9-19-23-15(13)12-5-3-2-4-6-12;1-10-4-5-16-14(18-10)20-15-19-12(9-23-15)11-8-17-21-13(11)22-6-2-3-7-22/h2-10H,1H3,(H,19,23)(H,18,20,21,22);4-5,8-9H,2-3,6-7H2,1H3,(H,17,21)(H,16,18,19,20)
InChIKeyLAUKNDAIDGWZQG-UHFFFAOYSA-N
XLogP7.02
TPSA162.00 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500661.83
LogP ≤ 57.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 87097878) is N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1ccnc(Nc2nc(-c3cn[nH]c3-c3ccccc3)cs2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3N3CCCC3)cs2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is LAUKNDAIDGWZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6S.C15H17N7S/c1-11-7-8-18-16(20-11)22-17-21-14(10-24-17)13-9-19-23-15(13)12-5-3-2-4-6-12;1-10-4-5-16-14(18-10)20-15-19-12(9-23-15)11-8-17-21-13(11)22-6-2-3-7-22/h2-10H,1H3,(H,19,23)(H,18,20,21,22);4-5,8-9H,2-3,6-7H2,1H3,(H,17,21)(H,16,18,19,20).
What are the key properties of N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 661.83 g/mol, XLogP of 7.02, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(5-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87097878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).