N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide

C18H18F2N4OS — CID 155882952

IUPACN-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(CCNC(=O)c2nccs2)ccc1-c1cn(C)nc1C(F)F
InChIInChI=1S/C18H18F2N4OS/c1-11-9-12(5-6-21-17(25)18-22-7-8-26-18)3-4-13(11)14-10-24(2)23-15(14)16(19)20/h3-4,7-10,16H,5-6H2,1-2H3,(H,21,25)
InChIKeyLKHWPCISDFZJKU-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.76
Rot. Bonds6

About N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide

N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 155882952) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide
PubChem CID155882952
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC NameN-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(CCNC(=O)c2nccs2)ccc1-c1cn(C)nc1C(F)F
InChIInChI=1S/C18H18F2N4OS/c1-11-9-12(5-6-21-17(25)18-22-7-8-26-18)3-4-13(11)14-10-24(2)23-15(14)16(19)20/h3-4,7-10,16H,5-6H2,1-2H3,(H,21,25)
InChIKeyLKHWPCISDFZJKU-UHFFFAOYSA-N
XLogP3.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide (CID 155882952) is N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide is Cc1cc(CCNC(=O)c2nccs2)ccc1-c1cn(C)nc1C(F)F.
What is the InChIKey of N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is LKHWPCISDFZJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4OS/c1-11-9-12(5-6-21-17(25)18-22-7-8-26-18)3-4-13(11)14-10-24(2)23-15(14)16(19)20/h3-4,7-10,16H,5-6H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide?
N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-methylphenyl]ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 155882952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).