N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide

C13H10FN3OS — CID 56784288

IUPACN-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C#N)c2ccccc2F)cs1
InChIInChI=1S/C13H10FN3OS/c1-8-16-12(7-19-8)13(18)17-11(6-15)9-4-2-3-5-10(9)14/h2-5,7,11H,1H3,(H,17,18)
InChIKeyBRSSBHNAJGYMHF-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.59
Rot. Bonds3

About N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 56784288) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID56784288
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C#N)c2ccccc2F)cs1
InChIInChI=1S/C13H10FN3OS/c1-8-16-12(7-19-8)13(18)17-11(6-15)9-4-2-3-5-10(9)14/h2-5,7,11H,1H3,(H,17,18)
InChIKeyBRSSBHNAJGYMHF-UHFFFAOYSA-N
XLogP2.59
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-[cyano-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 56515004
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 97228566
N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 99854848
2-bromo-N-[(S)-cyano-(2-fluorophenyl)methyl]benzamide
CID 96533894
N-[(S)-cyano-(2-fluorophenyl)methyl]-4-(1,3-thiazol-4-yl)benzamide
CID 97051265
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
2-(1-aminoethyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81377841
2-(2-fluorophenyl)-N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 102557272
N-[cyano-(2,4-difluorophenyl)methyl]-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 56585491
N-[cyano-(2-fluorophenyl)methyl]cyclopropanecarboxamide
CID 82114013
N-[cyano-(2,4-difluorophenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 56536954
N-(2,3-difluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47450900

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 56784288) is N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(C#N)c2ccccc2F)cs1.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is BRSSBHNAJGYMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-8-16-12(7-19-8)13(18)17-11(6-15)9-4-2-3-5-10(9)14/h2-5,7,11H,1H3,(H,17,18).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56784288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).