N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide

C16H14F3N5OS — CID 56848142

IUPACN-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ncccc2C)s1
InChIInChI=1S/C16H14F3N5OS/c1-3-24-10(7-12(23-24)16(17,18)19)11-8-21-15(26-11)22-14(25)13-9(2)5-4-6-20-13/h4-8H,3H2,1-2H3,(H,21,22,25)
InChIKeyXJJWGBJWWPDTPN-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.00
Rot. Bonds4

About N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide

N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide (PubChem CID 56848142) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide
PubChem CID56848142
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC NameN-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide
SMILESCCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ncccc2C)s1
InChIInChI=1S/C16H14F3N5OS/c1-3-24-10(7-12(23-24)16(17,18)19)11-8-21-15(26-11)22-14(25)13-9(2)5-4-6-20-13/h4-8H,3H2,1-2H3,(H,21,22,25)
InChIKeyXJJWGBJWWPDTPN-UHFFFAOYSA-N
XLogP4.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide (CID 56848142) is N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide is CCn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ncccc2C)s1.
What is the InChIKey of N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide?
The InChIKey is XJJWGBJWWPDTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c1-3-24-10(7-12(23-24)16(17,18)19)11-8-21-15(26-11)22-14(25)13-9(2)5-4-6-20-13/h4-8H,3H2,1-2H3,(H,21,22,25).
What are the key properties of N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide?
N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 56848142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).