N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide

C17H19ClN2O2S — CID 155548052

IUPACN-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1csc(C(O)C2CCCCC2)n1
InChIInChI=1S/C17H19ClN2O2S/c18-12-7-4-8-13(9-12)19-16(22)14-10-23-17(20-14)15(21)11-5-2-1-3-6-11/h4,7-11,15,21H,1-3,5-6H2,(H,19,22)
InChIKeyLHDKMVNMOWMYGR-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.66
Rot. Bonds4

About N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide

N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 155548052) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID155548052
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1csc(C(O)C2CCCCC2)n1
InChIInChI=1S/C17H19ClN2O2S/c18-12-7-4-8-13(9-12)19-16(22)14-10-23-17(20-14)15(21)11-5-2-1-3-6-11/h4,7-11,15,21H,1-3,5-6H2,(H,19,22)
InChIKeyLHDKMVNMOWMYGR-UHFFFAOYSA-N
XLogP4.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide (CID 155548052) is N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1csc(C(O)C2CCCCC2)n1.
What is the InChIKey of N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LHDKMVNMOWMYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c18-12-7-4-8-13(9-12)19-16(22)14-10-23-17(20-14)15(21)11-5-2-1-3-6-11/h4,7-11,15,21H,1-3,5-6H2,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide?
N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 350.87 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[cyclohexyl(hydroxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155548052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).