N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C26H23F3N10S2 — CID 87098028

IUPACN-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2cccc(C(F)F)n2)nc1-c1cn[nH]c1.Cc1sc(Nc2cccc(CF)n2)nc1-c1cn[nH]c1
InChIInChI=1S/C13H11F2N5S.C13H12FN5S/c1-7-11(8-5-16-17-6-8)20-13(21-7)19-10-4-2-3-9(18-10)12(14)15;1-8-12(9-6-15-16-7-9)19-13(20-8)18-11-4-2-3-10(5-14)17-11/h2-6,12H,1H3,(H,16,17)(H,18,19,20);2-4,6-7H,5H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyWCBKZHGVKSVIKK-UHFFFAOYSA-N
MW596.67 g/mol
LogP7.37
Rot. Bonds8

About N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 87098028) has the molecular formula C26H23F3N10S2 and a molecular weight of 596.67 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID87098028
Molecular FormulaC26H23F3N10S2
Molecular Weight596.67 g/mol
Exact Mass596.15
IUPAC NameN-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1sc(Nc2cccc(C(F)F)n2)nc1-c1cn[nH]c1.Cc1sc(Nc2cccc(CF)n2)nc1-c1cn[nH]c1
InChIInChI=1S/C13H11F2N5S.C13H12FN5S/c1-7-11(8-5-16-17-6-8)20-13(21-7)19-10-4-2-3-9(18-10)12(14)15;1-8-12(9-6-15-16-7-9)19-13(20-8)18-11-4-2-3-10(5-14)17-11/h2-6,12H,1H3,(H,16,17)(H,18,19,20);2-4,6-7H,5H2,1H3,(H,15,16)(H,17,18,19)
InChIKeyWCBKZHGVKSVIKK-UHFFFAOYSA-N
XLogP7.37
TPSA132.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.67
LogP ≤ 57.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(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-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 87098028) is N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1sc(Nc2cccc(C(F)F)n2)nc1-c1cn[nH]c1.Cc1sc(Nc2cccc(CF)n2)nc1-c1cn[nH]c1.
What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is WCBKZHGVKSVIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5S.C13H12FN5S/c1-7-11(8-5-16-17-6-8)20-13(21-7)19-10-4-2-3-9(18-10)12(14)15;1-8-12(9-6-15-16-7-9)19-13(20-8)18-11-4-2-3-10(5-14)17-11/h2-6,12H,1H3,(H,16,17)(H,18,19,20);2-4,6-7H,5H2,1H3,(H,15,16)(H,17,18,19).
What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 596.67 g/mol, XLogP of 7.37, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)-2-pyridinyl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87098028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).