N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide

C12H10FN3O2S — CID 63047676

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cscn1
InChIInChI=1S/C12H10FN3O2S/c1-6-8(13)2-7(11(14)17)3-9(6)16-12(18)10-4-19-5-15-10/h2-5H,1H3,(H2,14,17)(H,16,18)
InChIKeyUPVYSKGVQDEGBT-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.94
Rot. Bonds3

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 63047676) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID63047676
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cscn1
InChIInChI=1S/C12H10FN3O2S/c1-6-8(13)2-7(11(14)17)3-9(6)16-12(18)10-4-19-5-15-10/h2-5H,1H3,(H2,14,17)(H,16,18)
InChIKeyUPVYSKGVQDEGBT-UHFFFAOYSA-N
XLogP1.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66376283
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232
N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 102848003
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 81227752
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 119041119
N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 104814470
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 82685689
3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 60786943
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 63047676) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cscn1.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is UPVYSKGVQDEGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c1-6-8(13)2-7(11(14)17)3-9(6)16-12(18)10-4-19-5-15-10/h2-5H,1H3,(H2,14,17)(H,16,18).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63047676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).