N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C14H22N2O3S — CID 110125644

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)Cc2csc(C)n2)[C@H]1O
InChIInChI=1S/C14H22N2O3S/c1-9-15-10(8-20-9)7-13(17)16(2)11-5-4-6-12(19-3)14(11)18/h8,11-12,14,18H,4-7H2,1-3H3/t11-,12-,14-/m1/s1
InChIKeyXKVYGPSECRNFOH-YRGRVCCFSA-N
MW298.41 g/mol
LogP1.38
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 110125644) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID110125644
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCO[C@@H]1CCC[C@@H](N(C)C(=O)Cc2csc(C)n2)[C@H]1O
InChIInChI=1S/C14H22N2O3S/c1-9-15-10(8-20-9)7-13(17)16(2)11-5-4-6-12(19-3)14(11)18/h8,11-12,14,18H,4-7H2,1-3H3/t11-,12-,14-/m1/s1
InChIKeyXKVYGPSECRNFOH-YRGRVCCFSA-N
XLogP1.38
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-[2-(dimethylamino)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46966961
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71874470
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39709988
3-(1,3-dimethylpyrazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methylpropanamide
CID 110125695
N-cyclohexyl-N-(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 54942911
1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47147849
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 155983827
ethyl 2-[cyclopropyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 54983735
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110125265
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-N-methylacetamide
CID 110125282

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 110125644) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CO[C@@H]1CCC[C@@H](N(C)C(=O)Cc2csc(C)n2)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is XKVYGPSECRNFOH-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-15-10(8-20-9)7-13(17)16(2)11-5-4-6-12(19-3)14(11)18/h8,11-12,14,18H,4-7H2,1-3H3/t11-,12-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110125644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).