N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

C18H19FN4OS — CID 47738088

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)s1
InChIInChI=1S/C18H19FN4OS/c1-3-4-16-22-12(2)17(25-16)18(24)21-10-13-5-6-15(14(19)9-13)23-8-7-20-11-23/h5-9,11H,3-4,10H2,1-2H3,(H,21,24)
InChIKeySJOAJYXOZMHVDS-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.66
Rot. Bonds6

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 47738088) has the molecular formula C18H19FN4OS and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID47738088
Molecular FormulaC18H19FN4OS
Molecular Weight358.44 g/mol
Exact Mass358.13
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)s1
InChIInChI=1S/C18H19FN4OS/c1-3-4-16-22-12(2)17(25-16)18(24)21-10-13-5-6-15(14(19)9-13)23-8-7-20-11-23/h5-9,11H,3-4,10H2,1-2H3,(H,21,24)
InChIKeySJOAJYXOZMHVDS-UHFFFAOYSA-N
XLogP3.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methoxy-2-methylbenzamide
CID 136527948
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47737555
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47737914
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 49127727
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 47074711

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide (CID 47738088) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)s1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is SJOAJYXOZMHVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4OS/c1-3-4-16-22-12(2)17(25-16)18(24)21-10-13-5-6-15(14(19)9-13)23-8-7-20-11-23/h5-9,11H,3-4,10H2,1-2H3,(H,21,24).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methyl-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47738088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).