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

C14H14FN3O2S — CID 3285189

IUPAC2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccccc2F)sc1C(=O)N(C)C
InChIInChI=1S/C14H14FN3O2S/c1-8-11(13(20)18(2)3)21-14(16-8)17-12(19)9-6-4-5-7-10(9)15/h4-7H,1-3H3,(H,16,17,19)
InChIKeyGEWWBGAFKIWCAY-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.54
Rot. Bonds3

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

2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 3285189) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID3285189
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccccc2F)sc1C(=O)N(C)C
InChIInChI=1S/C14H14FN3O2S/c1-8-11(13(20)18(2)3)21-14(16-8)17-12(19)9-6-4-5-7-10(9)15/h4-7H,1-3H3,(H,16,17,19)
InChIKeyGEWWBGAFKIWCAY-UHFFFAOYSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
N-(3-chlorophenyl)-2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 1468197
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956
N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 156585779
2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63945041
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 110439852
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
2-[(5-chloro-2-nitrobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3257929
2-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 171668009
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 142147683

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 3285189) is 2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2ccccc2F)sc1C(=O)N(C)C.
What is the InChIKey of 2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is GEWWBGAFKIWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-8-11(13(20)18(2)3)21-14(16-8)17-12(19)9-6-4-5-7-10(9)15/h4-7H,1-3H3,(H,16,17,19).
What are the key properties of 2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3285189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).