1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea

C14H20N4OS — CID 8656598

IUPAC1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
SMILESC[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccccn1
InChIInChI=1S/C14H20N4OS/c1-10-6-2-3-7-11(10)16-14(20)18-17-13(19)12-8-4-5-9-15-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,19)(H2,16,18,20)/t10-,11+/m0/s1
InChIKeyXYMYAMAYCKRPAT-WDEREUQCSA-N
MW292.41 g/mol
LogP1.77
Rot. Bonds2

About 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea

1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea (PubChem CID 8656598) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
PubChem CID8656598
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea
SMILESC[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccccn1
InChIInChI=1S/C14H20N4OS/c1-10-6-2-3-7-11(10)16-14(20)18-17-13(19)12-8-4-5-9-15-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,19)(H2,16,18,20)/t10-,11+/m0/s1
InChIKeyXYMYAMAYCKRPAT-WDEREUQCSA-N
XLogP1.77
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea 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

1-[(2-chlorobenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8657236
1-[(2-hydroxybenzoyl)amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 8669519
1-[(2-bromobenzoyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 8657284
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]pyridine-2-carboxamide
CID 11919862
1-[(3,4-dimethoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8625077
1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8787113
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
1-[(1S,2R)-2-methylcyclohexyl]-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]thiourea
CID 8768628
1-[(1S,2R)-2-methylcyclohexyl]-3-[(3,4,5-trimethoxybenzoyl)amino]thiourea
CID 8624992
1-[[2-(2-fluorophenoxy)acetyl]amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8728397
1-[[2-(2-fluorophenoxy)acetyl]amino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 11932537
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8625941

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea?
The IUPAC name of 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea (CID 8656598) is 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea.
What is the SMILES notation for 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea?
The canonical SMILES for 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea is C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccccn1.
What is the InChIKey of 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea?
The InChIKey is XYMYAMAYCKRPAT-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-6-2-3-7-11(10)16-14(20)18-17-13(19)12-8-4-5-9-15-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,19)(H2,16,18,20)/t10-,11+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea?
1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea has a molecular weight of 292.41 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methylcyclohexyl]-3-(pyridine-2-carbonylamino)thiourea is sourced from PubChem (CID 8656598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).