N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C18H18FN3OS — CID 53134331

IUPACN-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1F
InChIInChI=1S/C18H18FN3OS/c1-11(2)15-16(24-18(21-15)22-8-4-5-9-22)17(23)20-13-7-6-12(3)14(19)10-13/h4-11H,1-3H3,(H,20,23)
InChIKeyREKPGDJDLBBTOJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.76
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134331) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134331
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1F
InChIInChI=1S/C18H18FN3OS/c1-11(2)15-16(24-18(21-15)22-8-4-5-9-22)17(23)20-13-7-6-12(3)14(19)10-13/h4-11H,1-3H3,(H,20,23)
InChIKeyREKPGDJDLBBTOJ-UHFFFAOYSA-N
XLogP4.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
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N-(2-fluoro-4-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
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CID 49862157
2-fluoro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 3267821
4-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide
CID 2463285
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
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N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
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6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25094877
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134331) is N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2sc(-n3cccc3)nc2C(C)C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is REKPGDJDLBBTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-11(2)15-16(24-18(21-15)22-8-4-5-9-22)17(23)20-13-7-6-12(3)14(19)10-13/h4-11H,1-3H3,(H,20,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).