4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide

C12H19N3O2S — CID 113384238

IUPAC4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-10-11(18-15-14-10)12(17)13-9-5-3-8(7-16)4-6-9/h8-9,16H,2-7H2,1H3,(H,13,17)
InChIKeyIYBVOQYOADIQAT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.38
Rot. Bonds4

About 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide

4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide (PubChem CID 113384238) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
PubChem CID113384238
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCC(CO)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-10-11(18-15-14-10)12(17)13-9-5-3-8(7-16)4-6-9/h8-9,16H,2-7H2,1H3,(H,13,17)
InChIKeyIYBVOQYOADIQAT-UHFFFAOYSA-N
XLogP1.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 30768347
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
CID 79110286
4-ethyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]thiadiazole-5-carboxamide
CID 38213671
3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033078
N-(2-aminocyclopentyl)-4-ethylthiadiazole-5-carboxamide
CID 65210234
4-ethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)thiadiazole-5-carboxamide
CID 86771967
N-[(1R)-1-cyclopropylethyl]-4-ethylthiadiazole-5-carboxamide
CID 30796558
N-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-yl]benzamide
CID 35945644
N-cyclopropyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204623
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide
CID 65205676

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide (CID 113384238) is 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1CCC(CO)CC1.
What is the InChIKey of 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide?
The InChIKey is IYBVOQYOADIQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-10-11(18-15-14-10)12(17)13-9-5-3-8(7-16)4-6-9/h8-9,16H,2-7H2,1H3,(H,13,17).
What are the key properties of 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide?
4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 113384238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).