2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C14H13F2N3O2S — CID 39735335

IUPAC2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2F)sc1C(=O)N(C)C
InChIInChI=1S/C14H13F2N3O2S/c1-7-11(13(21)19(2)3)22-14(17-7)18-12(20)9-5-4-8(15)6-10(9)16/h4-6H,1-3H3,(H,17,18,20)
InChIKeyUHSKYCHLGMLFPH-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.68
Rot. Bonds3

About 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 39735335) has the molecular formula C14H13F2N3O2S and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID39735335
Molecular FormulaC14H13F2N3O2S
Molecular Weight325.34 g/mol
Exact Mass325.07
IUPAC Name2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(F)cc2F)sc1C(=O)N(C)C
InChIInChI=1S/C14H13F2N3O2S/c1-7-11(13(21)19(2)3)22-14(17-7)18-12(20)9-5-4-8(15)6-10(9)16/h4-6H,1-3H3,(H,17,18,20)
InChIKeyUHSKYCHLGMLFPH-UHFFFAOYSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2,4-difluorobenzamide
CID 17391508
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-[(5-chloro-2-nitrobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3257929
2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 844544
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 142147683
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 156585779
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 110439852
2-[(2,5-difluorobenzoyl)amino]-N-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23549123
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 39735335) is 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccc(F)cc2F)sc1C(=O)N(C)C.
What is the InChIKey of 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is UHSKYCHLGMLFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2S/c1-7-11(13(21)19(2)3)22-14(17-7)18-12(20)9-5-4-8(15)6-10(9)16/h4-6H,1-3H3,(H,17,18,20).
What are the key properties of 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39735335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).