N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

C14H22N2O3S — CID 104927471

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H22N2O3S/c1-10-9-20-14(19)16(10)8-4-7-13(18)15-11-5-2-3-6-12(11)17/h9,11-12,17H,2-8H2,1H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyLSICPIVSLMQZHO-VXGBXAGGSA-N
MW298.41 g/mol
LogP1.42
Rot. Bonds5

About N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide

N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (PubChem CID 104927471) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
PubChem CID104927471
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
SMILESCc1csc(=O)n1CCCC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C14H22N2O3S/c1-10-9-20-14(19)16(10)8-4-7-13(18)15-11-5-2-3-6-12(11)17/h9,11-12,17H,2-8H2,1H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyLSICPIVSLMQZHO-VXGBXAGGSA-N
XLogP1.42
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide (CID 104927471) is N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is Cc1csc(=O)n1CCCC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
The InChIKey is LSICPIVSLMQZHO-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-9-20-14(19)16(10)8-4-7-13(18)15-11-5-2-3-6-12(11)17/h9,11-12,17H,2-8H2,1H3,(H,15,18)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide has a molecular weight of 298.41 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide is sourced from PubChem (CID 104927471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).