N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C18H22N2O2S — CID 110003773

IUPACN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H22N2O2S/c1-20(12-14-9-5-6-10-15(14)21)18(22)16-11-19-17(23-16)13-7-3-2-4-8-13/h2-4,7-8,11,14-15,21H,5-6,9-10,12H2,1H3
InChIKeyBIXGXJHURXBJDG-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.43
Rot. Bonds4

About N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 110003773) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID110003773
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCN(CC1CCCCC1O)C(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H22N2O2S/c1-20(12-14-9-5-6-10-15(14)21)18(22)16-11-19-17(23-16)13-7-3-2-4-8-13/h2-4,7-8,11,14-15,21H,5-6,9-10,12H2,1H3
InChIKeyBIXGXJHURXBJDG-UHFFFAOYSA-N
XLogP3.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119172820
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
CID 86991083
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991146
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-phenylbenzamide
CID 109400318
N-[(2-hydroxycyclopentyl)methyl]-N,1-dimethyl-5-phenylpyrrole-2-carboxamide
CID 109400408
N-[(2-hydroxycyclohexyl)methyl]-N-methylisoquinoline-1-carboxamide
CID 110003844
[4-(dimethylamino)piperidin-1-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 56819559
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110003457
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991055
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-4-phenoxypyridine-2-carboxamide
CID 109399798
2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 109398002
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 110003521

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 110003773) is N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide is CN(CC1CCCCC1O)C(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is BIXGXJHURXBJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-20(12-14-9-5-6-10-15(14)21)18(22)16-11-19-17(23-16)13-7-3-2-4-8-13/h2-4,7-8,11,14-15,21H,5-6,9-10,12H2,1H3.
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110003773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).