4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide

C22H19FN4O3S — CID 143308745

IUPAC4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(N)=O)cc1C(=O)Nc1nccs1
InChIInChI=1S/C22H19FN4O3S/c1-11-16(9-13(10-18(11)23)20(29)26-14-3-4-14)15-5-2-12(19(24)28)8-17(15)21(30)27-22-25-6-7-31-22/h2,5-10,14H,3-4H2,1H3,(H2,24,28)(H,26,29)(H,25,27,30)
InChIKeyPGJBSOYAOIYZIX-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.50
Rot. Bonds6

About 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide

4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide (PubChem CID 143308745) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
PubChem CID143308745
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC Name4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(N)=O)cc1C(=O)Nc1nccs1
InChIInChI=1S/C22H19FN4O3S/c1-11-16(9-13(10-18(11)23)20(29)26-14-3-4-14)15-5-2-12(19(24)28)8-17(15)21(30)27-22-25-6-7-31-22/h2,5-10,14H,3-4H2,1H3,(H2,24,28)(H,26,29)(H,25,27,30)
InChIKeyPGJBSOYAOIYZIX-UHFFFAOYSA-N
XLogP3.50
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-N-methyl-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide;4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 159738672
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-N-[(2S)-3,3-dimethylbutan-2-yl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 12002356
2-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid;4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-N-(2,2-dimethylpropyl)-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 159660961
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 12002441
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide;4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-(1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 159163853
1-N-(2,2-dimethylpropyl)-4-[3-fluoro-2-methyl-5-[[(2R)-3-methylbutan-2-yl]carbamoyl]phenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 12002299
4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 69229769
3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 60861340
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(3,4-difluorophenyl)-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 12002103
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58919696
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2-methylbutan-2-yl)-1-oxidopyridin-1-ium-3-carboxamide
CID 11689842
3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 55160396

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide (CID 143308745) is 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(N)=O)cc1C(=O)Nc1nccs1.
What is the InChIKey of 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide?
The InChIKey is PGJBSOYAOIYZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-11-16(9-13(10-18(11)23)20(29)26-14-3-4-14)15-5-2-12(19(24)28)8-17(15)21(30)27-22-25-6-7-31-22/h2,5-10,14H,3-4H2,1H3,(H2,24,28)(H,26,29)(H,25,27,30).
What are the key properties of 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide?
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(1,3-thiazol-2-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 143308745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).