2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide

C18H13FN4OS2 — CID 39885568

IUPAC2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide
SMILESCc1ncc(NC(=O)c2ccccc2F)n1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C18H13FN4OS2/c1-11-20-9-16(22-17(24)12-5-2-3-6-13(12)19)23(11)18-21-14(10-26-18)15-7-4-8-25-15/h2-10H,1H3,(H,22,24)
InChIKeyJWRFENXDZGKGEN-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.76
Rot. Bonds4

About 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide

2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide (PubChem CID 39885568) has the molecular formula C18H13FN4OS2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide
PubChem CID39885568
Molecular FormulaC18H13FN4OS2
Molecular Weight384.46 g/mol
Exact Mass384.05
IUPAC Name2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide
SMILESCc1ncc(NC(=O)c2ccccc2F)n1-c1nc(-c2cccs2)cs1
InChIInChI=1S/C18H13FN4OS2/c1-11-20-9-16(22-17(24)12-5-2-3-6-13(12)19)23(11)18-21-14(10-26-18)15-7-4-8-25-15/h2-10H,1H3,(H,22,24)
InChIKeyJWRFENXDZGKGEN-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-4-oxochromene-2-carboxamide
CID 39859518
4-chloro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
CID 42109166
2-(1H-indol-3-yl)-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]-2-oxoacetamide
CID 39859814
5-methyl-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-4-carboxylic acid
CID 58127517
2-(2-fluorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2080859
methyl 2-[(2-fluorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 16644350
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)imidazol-4-yl]prop-2-enamide
CID 51700908
2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39042306
3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide
CID 111456737
N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750
N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropanecarboxamide
CID 42109155
2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide
CID 118009587

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide (CID 39885568) is 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide is Cc1ncc(NC(=O)c2ccccc2F)n1-c1nc(-c2cccs2)cs1.
What is the InChIKey of 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide?
The InChIKey is JWRFENXDZGKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS2/c1-11-20-9-16(22-17(24)12-5-2-3-6-13(12)19)23(11)18-21-14(10-26-18)15-7-4-8-25-15/h2-10H,1H3,(H,22,24).
What are the key properties of 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide?
2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)imidazol-4-yl]benzamide is sourced from PubChem (CID 39885568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).