4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide

C15H18FN3OS — CID 24805186

IUPAC4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)CNc1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3OS/c1-10(2)8-17-13-9-21-15(18-13)19(3)14(20)11-4-6-12(16)7-5-11/h4-7,9-10,17H,8H2,1-3H3
InChIKeySBPOOOLREZAATR-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.63
Rot. Bonds5

About 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide

4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide (PubChem CID 24805186) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide
PubChem CID24805186
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)CNc1csc(N(C)C(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN3OS/c1-10(2)8-17-13-9-21-15(18-13)19(3)14(20)11-4-6-12(16)7-5-11/h4-7,9-10,17H,8H2,1-3H3
InChIKeySBPOOOLREZAATR-UHFFFAOYSA-N
XLogP3.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-[4-(3-methylbutanoyl)-1,3-thiazol-2-yl]benzamide
CID 24805014
N-ethyl-2-[(4-fluorobenzoyl)-methylamino]-N-methyl-1,3-thiazole-4-carboxamide
CID 24803039
4-fluoro-N-methyl-N-[4-[6-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16660294
4-fluoro-N-methyl-N-[4-(1,2,4-thiadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 16661886
[5-[2-[(4-fluorobenzoyl)-methylamino]-1,3-thiazol-4-yl]-1,3,4-thiadiazol-2-yl] N-methylcarbamate
CID 16659653
4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1172758
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816
4-fluoro-N,N-bis(2-methylpropyl)benzamide
CID 17386163
4-(2-(18F)fluoroethoxy)-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl](18F)benzamide
CID 70686553
4-fluoro-N-methyl-N-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16659975
2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride
CID 66811171

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide (CID 24805186) is 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide is CC(C)CNc1csc(N(C)C(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SBPOOOLREZAATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-10(2)8-17-13-9-21-15(18-13)19(3)14(20)11-4-6-12(16)7-5-11/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide has a molecular weight of 307.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24805186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).