N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide

C14H16F2N4OS — CID 172595765

IUPACN-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(C(F)F)CCCCC1)c1csc(-c2cnc[nH]2)n1
InChIInChI=1S/C14H16F2N4OS/c15-13(16)14(4-2-1-3-5-14)20-11(21)10-7-22-12(19-10)9-6-17-8-18-9/h6-8,13H,1-5H2,(H,17,18)(H,20,21)
InChIKeyGZOJQQCUBYZQKK-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.23
Rot. Bonds4

About N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide

N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 172595765) has the molecular formula C14H16F2N4OS and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID172595765
Molecular FormulaC14H16F2N4OS
Molecular Weight326.37 g/mol
Exact Mass326.10
IUPAC NameN-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(C(F)F)CCCCC1)c1csc(-c2cnc[nH]2)n1
InChIInChI=1S/C14H16F2N4OS/c15-13(16)14(4-2-1-3-5-14)20-11(21)10-7-22-12(19-10)9-6-17-8-18-9/h6-8,13H,1-5H2,(H,17,18)(H,20,21)
InChIKeyGZOJQQCUBYZQKK-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595745
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595718
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 167957814
1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350659
2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 62787757
2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64686290
2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 66389528
methyl 1-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]cyclohexane-1-carboxylate
CID 119041122
N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119567922
3-[4-[2-[[2-(1H-imidazol-5-yl)-1,3-thiazole-4-carbonyl]amino]-4-methoxybutyl]triazol-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 166325957
N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 114311521
1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158334

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide (CID 172595765) is N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(NC1(C(F)F)CCCCC1)c1csc(-c2cnc[nH]2)n1.
What is the InChIKey of N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GZOJQQCUBYZQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4OS/c15-13(16)14(4-2-1-3-5-14)20-11(21)10-7-22-12(19-10)9-6-17-8-18-9/h6-8,13H,1-5H2,(H,17,18)(H,20,21).
What are the key properties of N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 172595765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).