N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C18H22N2O2S — CID 26738355

IUPACN-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13-4-2-3-5-17(13)20-18(21)14-6-8-16(9-7-14)22-10-15-11-23-12-19-15/h6-9,11-13,17H,2-5,10H2,1H3,(H,20,21)/t13-,17-/m1/s1
InChIKeyACDHCTMWDANQFP-CXAGYDPISA-N
MW330.45 g/mol
LogP4.03
Rot. Bonds5

About N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 26738355) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID26738355
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13-4-2-3-5-17(13)20-18(21)14-6-8-16(9-7-14)22-10-15-11-23-12-19-15/h6-9,11-13,17H,2-5,10H2,1H3,(H,20,21)/t13-,17-/m1/s1
InChIKeyACDHCTMWDANQFP-CXAGYDPISA-N
XLogP4.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9273087
N-cyclohexyl-4-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86834806
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 40723884
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39969204
N-(1-hydroxy-2-methylpropan-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 110000901
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134049693
4-bromo-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 1234533
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 1234531
4-fluoro-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 2098476
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164413

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 26738355) is N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is ACDHCTMWDANQFP-CXAGYDPISA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13-4-2-3-5-17(13)20-18(21)14-6-8-16(9-7-14)22-10-15-11-23-12-19-15/h6-9,11-13,17H,2-5,10H2,1H3,(H,20,21)/t13-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 330.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 26738355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).