N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide

C17H17FN4OS — CID 46969122

IUPACN-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1cc(-c2csc(NC(=O)CCn3ccnc3C)n2)ccc1F
InChIInChI=1S/C17H17FN4OS/c1-11-9-13(3-4-14(11)18)15-10-24-17(20-15)21-16(23)5-7-22-8-6-19-12(22)2/h3-4,6,8-10H,5,7H2,1-2H3,(H,20,21,23)
InChIKeyGVJGTHHZFVMBDQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.79
Rot. Bonds5

About N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide

N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide (PubChem CID 46969122) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide
PubChem CID46969122
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC NameN-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide
SMILESCc1cc(-c2csc(NC(=O)CCn3ccnc3C)n2)ccc1F
InChIInChI=1S/C17H17FN4OS/c1-11-9-13(3-4-14(11)18)15-10-24-17(20-15)21-16(23)5-7-22-8-6-19-12(22)2/h3-4,6,8-10H,5,7H2,1-2H3,(H,20,21,23)
InChIKeyGVJGTHHZFVMBDQ-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
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3-chloro-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19183949
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-nitroimidazol-1-yl)acetamide
CID 118732531
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 60547444
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4,7-dimethyl-5-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 87424153
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 60546331
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119677128
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24555100
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylsulfanylacetamide
CID 19727876
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(5,7-dimethyl-4-oxoimidazo[4,5-c]pyridin-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide (CID 46969122) is N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide is Cc1cc(-c2csc(NC(=O)CCn3ccnc3C)n2)ccc1F.
What is the InChIKey of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide?
The InChIKey is GVJGTHHZFVMBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-11-9-13(3-4-14(11)18)15-10-24-17(20-15)21-16(23)5-7-22-8-6-19-12(22)2/h3-4,6,8-10H,5,7H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide?
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide has a molecular weight of 344.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 46969122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).