N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C19H24N2O2S — CID 9273087

IUPACN-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)cs1
InChIInChI=1S/C19H24N2O2S/c1-13-5-3-4-6-18(13)21-19(22)15-7-9-17(10-8-15)23-11-16-12-24-14(2)20-16/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,21,22)/t13-,18+/m0/s1
InChIKeyMGKONQAUZJUMMJ-SCLBCKFNSA-N
MW344.48 g/mol
LogP4.34
Rot. Bonds5

About N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 9273087) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID9273087
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)cs1
InChIInChI=1S/C19H24N2O2S/c1-13-5-3-4-6-18(13)21-19(22)15-7-9-17(10-8-15)23-11-16-12-24-14(2)20-16/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,21,22)/t13-,18+/m0/s1
InChIKeyMGKONQAUZJUMMJ-SCLBCKFNSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26738355
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 55451657
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1-propylpiperidin-1-ium-4-yl)benzamide
CID 9293109
N-[2-(aminomethyl)cyclohexyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 119611426
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55533835
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 40723884
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 11932583

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 9273087) is N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)cs1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is MGKONQAUZJUMMJ-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-5-3-4-6-18(13)21-19(22)15-7-9-17(10-8-15)23-11-16-12-24-14(2)20-16/h7-10,12-13,18H,3-6,11H2,1-2H3,(H,21,22)/t13-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 344.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 9273087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).