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

C15H12F4N2OS — CID 167327072

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)C1(C(F)(F)F)CC1
InChIInChI=1S/C15H12F4N2OS/c16-10-3-1-2-9(6-10)7-11-8-20-13(23-11)21-12(22)14(4-5-14)15(17,18)19/h1-3,6,8H,4-5,7H2,(H,20,21,22)
InChIKeyJAIZLNPGTYVVCP-UHFFFAOYSA-N
MW344.33 g/mol
LogP4.15
Rot. Bonds4

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

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 167327072) has the molecular formula C15H12F4N2OS and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID167327072
Molecular FormulaC15H12F4N2OS
Molecular Weight344.33 g/mol
Exact Mass344.06
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)C1(C(F)(F)F)CC1
InChIInChI=1S/C15H12F4N2OS/c16-10-3-1-2-9(6-10)7-11-8-20-13(23-11)21-12(22)14(4-5-14)15(17,18)19/h1-3,6,8H,4-5,7H2,(H,20,21,22)
InChIKeyJAIZLNPGTYVVCP-UHFFFAOYSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015330
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 177198856
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55614121
3-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 177198584
7-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
CID 119719234
3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 37266027
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55791423
1-[4-(dimethylamino)phenyl]-3-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methylurea
CID 177198527
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647
(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide
CID 167327033

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 167327072) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is JAIZLNPGTYVVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2OS/c16-10-3-1-2-9(6-10)7-11-8-20-13(23-11)21-12(22)14(4-5-14)15(17,18)19/h1-3,6,8H,4-5,7H2,(H,20,21,22).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167327072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).