1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea

C14H21N3OS2 — CID 843031

IUPAC1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea
SMILESCCc1cc(C(=O)NNC(=S)NC2CCCCC2)cs1
InChIInChI=1S/C14H21N3OS2/c1-2-12-8-10(9-20-12)13(18)16-17-14(19)15-11-6-4-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyDBJWGYDBXITUAB-UHFFFAOYSA-N
MW311.48 g/mol
LogP2.75
Rot. Bonds3

About 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea

1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea (PubChem CID 843031) has the molecular formula C14H21N3OS2 and a molecular weight of 311.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea
PubChem CID843031
Molecular FormulaC14H21N3OS2
Molecular Weight311.48 g/mol
Exact Mass311.11
IUPAC Name1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea
SMILESCCc1cc(C(=O)NNC(=S)NC2CCCCC2)cs1
InChIInChI=1S/C14H21N3OS2/c1-2-12-8-10(9-20-12)13(18)16-17-14(19)15-11-6-4-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,18)(H2,15,17,19)
InChIKeyDBJWGYDBXITUAB-UHFFFAOYSA-N
XLogP2.75
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 52.75
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-(2-thienylcarbonyl)-1-hydrazinecarbothioamide
CID 727045
N-cyclohexyl-2-[(5-isopropyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 843013
N-cyclohexyl-2-[(3-methyl-2-thienyl)carbonyl]hydrazinecarbothioamide
CID 1231792
2-[(5-chloro-2-thienyl)carbonyl]-N-cyclohexylhydrazinecarbothioamide
CID 969985
1-Cyclohexyl-3-[(4-ethyl-5-methylthiophene-3-carbonyl)amino]thiourea
CID 978025
N-cyclohexyl-2-[(5-methyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 1231795
N-propyl-2-(2-thienylcarbonyl)-1-hydrazinecarbothioamide
CID 4419281
N-[[(2-phenylacetyl)amino]carbamothioyl]thiophene-2-carboxamide
CID 5158617
1-Cyclopropyl-3-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]thiourea
CID 24687591
1-Benzyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea
CID 843655
N-benzyl-2-[(5-isopropyl-3-thienyl)carbonyl]hydrazinecarbothioamide
CID 843721

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea (CID 843031) is 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea is CCc1cc(C(=O)NNC(=S)NC2CCCCC2)cs1.
What is the InChIKey of 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea?
The InChIKey is DBJWGYDBXITUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS2/c1-2-12-8-10(9-20-12)13(18)16-17-14(19)15-11-6-4-3-5-7-11/h8-9,11H,2-7H2,1H3,(H,16,18)(H2,15,17,19).
What are the key properties of 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea?
1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea has a molecular weight of 311.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(5-ethylthiophene-3-carbonyl)amino]thiourea is sourced from PubChem (CID 843031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).