N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C16H16F2N6OS — CID 165129972

IUPACN-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C1CC1)n1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C16H16F2N6OS/c1-8(9-2-3-9)24-6-11(13(23-24)14(17)18)21-15(25)12-7-26-16(22-12)10-4-19-20-5-10/h4-9,14H,2-3H2,1H3,(H,19,20)(H,21,25)
InChIKeyVIPGRZOXSPFQKS-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.89
Rot. Bonds6

About N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 165129972) has the molecular formula C16H16F2N6OS and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID165129972
Molecular FormulaC16H16F2N6OS
Molecular Weight378.41 g/mol
Exact Mass378.11
IUPAC NameN-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C1CC1)n1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1
InChIInChI=1S/C16H16F2N6OS/c1-8(9-2-3-9)24-6-11(13(23-24)14(17)18)21-15(25)12-7-26-16(22-12)10-4-19-20-5-10/h4-9,14H,2-3H2,1H3,(H,19,20)(H,21,25)
InChIKeyVIPGRZOXSPFQKS-UHFFFAOYSA-N
XLogP3.89
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 165129972) is N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C1CC1)n1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(C(F)F)n1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VIPGRZOXSPFQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6OS/c1-8(9-2-3-9)24-6-11(13(23-24)14(17)18)21-15(25)12-7-26-16(22-12)10-4-19-20-5-10/h4-9,14H,2-3H2,1H3,(H,19,20)(H,21,25).
What are the key properties of N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)-3-(difluoromethyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 165129972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).