1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

C15H15FN2OS — CID 167862447

IUPAC1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)C3(F)CC3)s2)c1
InChIInChI=1S/C15H15FN2OS/c1-10-3-2-4-11(7-10)8-12-9-17-14(20-12)18-13(19)15(16)5-6-15/h2-4,7,9H,5-6,8H2,1H3,(H,17,18,19)
InChIKeyAIIQHQIMBWDOAR-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.48
Rot. Bonds4

About 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide

1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 167862447) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID167862447
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(Cc2cnc(NC(=O)C3(F)CC3)s2)c1
InChIInChI=1S/C15H15FN2OS/c1-10-3-2-4-11(7-10)8-12-9-17-14(20-12)18-13(19)15(16)5-6-15/h2-4,7,9H,5-6,8H2,1H3,(H,17,18,19)
InChIKeyAIIQHQIMBWDOAR-UHFFFAOYSA-N
XLogP3.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486
2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 4969220
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4911481
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3144222
5-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17423794
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
2,4-difluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 7535959
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827605
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
3-(2-chlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 2873182

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide (CID 167862447) is 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is Cc1cccc(Cc2cnc(NC(=O)C3(F)CC3)s2)c1.
What is the InChIKey of 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is AIIQHQIMBWDOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-10-3-2-4-11(7-10)8-12-9-17-14(20-12)18-13(19)15(16)5-6-15/h2-4,7,9H,5-6,8H2,1H3,(H,17,18,19).
What are the key properties of 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide?
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 167862447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).