N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C15H24N2O2S2 — CID 99636177

IUPACN-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCCC[C@H]1CCCC[C@H]1O
InChIInChI=1S/C15H24N2O2S2/c1-10-13(21-15(20)17-10)9-14(19)16-8-4-6-11-5-2-3-7-12(11)18/h11-12,18H,2-9H2,1H3,(H,16,19)(H,17,20)/t11-,12-/m1/s1
InChIKeyBKGLENWXYJLZPG-VXGBXAGGSA-N
MW328.50 g/mol
LogP3.10
Rot. Bonds6

About N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 99636177) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID99636177
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NCCC[C@H]1CCCC[C@H]1O
InChIInChI=1S/C15H24N2O2S2/c1-10-13(21-15(20)17-10)9-14(19)16-8-4-6-11-5-2-3-7-12(11)18/h11-12,18H,2-9H2,1H3,(H,16,19)(H,17,20)/t11-,12-/m1/s1
InChIKeyBKGLENWXYJLZPG-VXGBXAGGSA-N
XLogP3.10
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 99636177) is N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NCCC[C@H]1CCCC[C@H]1O.
What is the InChIKey of N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is BKGLENWXYJLZPG-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-10-13(21-15(20)17-10)9-14(19)16-8-4-6-11-5-2-3-7-12(11)18/h11-12,18H,2-9H2,1H3,(H,16,19)(H,17,20)/t11-,12-/m1/s1.
What are the key properties of N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 328.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 99636177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).