1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea

C12H17N3OS2 — CID 727045

IUPAC1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)NC1CCCCC1)c1cccs1
InChIInChI=1S/C12H17N3OS2/c16-11(10-7-4-8-18-10)14-15-12(17)13-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)(H2,13,15,17)
InChIKeyUGMCLDASMRDHHT-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.19
Rot. Bonds2

About 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea

1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea (PubChem CID 727045) has the molecular formula C12H17N3OS2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea
PubChem CID727045
Molecular FormulaC12H17N3OS2
Molecular Weight283.42 g/mol
Exact Mass283.08
IUPAC Name1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)NC1CCCCC1)c1cccs1
InChIInChI=1S/C12H17N3OS2/c16-11(10-7-4-8-18-10)14-15-12(17)13-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)(H2,13,15,17)
InChIKeyUGMCLDASMRDHHT-UHFFFAOYSA-N
XLogP2.19
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.19
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'}

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Related Compounds

2-Thiophenecarboxylic acid, 2-[(methylamino)thioxomethyl]hydrazide
CID 2819872
N-cyclohexyl-2-[(5-isopropyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 843013
5-Ethyl-3-thiophenecarboxylic acid 2-[(cyclohexylamino)thioxomethyl]hydrazide
CID 843031
N-cyclohexyl-2-[(3-methyl-2-thienyl)carbonyl]hydrazinecarbothioamide
CID 1231792
2-[(5-chloro-2-thienyl)carbonyl]-N-cyclohexylhydrazinecarbothioamide
CID 969985
N-cyclohexyl-2-[(4-ethyl-5-methyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 978025
N-cyclohexyl-2-[(5-methyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 1231795
N-(2-methoxyethyl)-2-(2-thienylcarbonyl)hydrazinecarbothioamide
CID 1951745
N-propyl-2-(2-thienylcarbonyl)-1-hydrazinecarbothioamide
CID 4419281
N-benzyl-2-[(5-propyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 843655
N-benzyl-2-[(5-isopropyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 843721
N-benzyl-2-[(5-ethyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 843834

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea (CID 727045) is 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea is O=C(NNC(=S)NC1CCCCC1)c1cccs1.
What is the InChIKey of 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea?
The InChIKey is UGMCLDASMRDHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS2/c16-11(10-7-4-8-18-10)14-15-12(17)13-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,16)(H2,13,15,17).
What are the key properties of 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea?
1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea has a molecular weight of 283.42 g/mol, XLogP of 2.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(thiophene-2-carbonylamino)thiourea is sourced from PubChem (CID 727045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).