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

C17H16FN3OS — CID 53134326

IUPACN-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H16FN3OS/c1-11(2)14-15(23-17(20-14)21-9-5-6-10-21)16(22)19-13-8-4-3-7-12(13)18/h3-11H,1-2H3,(H,19,22)
InChIKeyDDNJFBKFIATQRR-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.45
Rot. Bonds4

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

N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134326) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134326
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)c1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H16FN3OS/c1-11(2)14-15(23-17(20-14)21-9-5-6-10-21)16(22)19-13-8-4-3-7-12(13)18/h3-11H,1-2H3,(H,19,22)
InChIKeyDDNJFBKFIATQRR-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
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
CID 25095149
4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095930
2-[1-[1-(4-fluorophenyl)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 44192371
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 57919896
2-[1-[(3,5-difluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 57919928
2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481190
2-(3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481196

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134326) is N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CC(C)c1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DDNJFBKFIATQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-11(2)14-15(23-17(20-14)21-9-5-6-10-21)16(22)19-13-8-4-3-7-12(13)18/h3-11H,1-2H3,(H,19,22).
What are the key properties of N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-propan-2-yl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).