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

C15H23N3OS2 — CID 842878

IUPAC1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea
SMILESCCCc1cc(C(=O)NNC(=S)NC2CCCCC2)cs1
InChIInChI=1S/C15H23N3OS2/c1-2-6-13-9-11(10-21-13)14(19)17-18-15(20)16-12-7-4-3-5-8-12/h9-10,12H,2-8H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeySQKSMEFYWHDKEV-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.14
Rot. Bonds4

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

1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea (PubChem CID 842878) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea
PubChem CID842878
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea
SMILESCCCc1cc(C(=O)NNC(=S)NC2CCCCC2)cs1
InChIInChI=1S/C15H23N3OS2/c1-2-6-13-9-11(10-21-13)14(19)17-18-15(20)16-12-7-4-3-5-8-12/h9-10,12H,2-8H2,1H3,(H,17,19)(H2,16,18,20)
InChIKeySQKSMEFYWHDKEV-UHFFFAOYSA-N
XLogP3.14
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea?
The IUPAC name of 1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea (CID 842878) is 1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea is CCCc1cc(C(=O)NNC(=S)NC2CCCCC2)cs1.
What is the InChIKey of 1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea?
The InChIKey is SQKSMEFYWHDKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-2-6-13-9-11(10-21-13)14(19)17-18-15(20)16-12-7-4-3-5-8-12/h9-10,12H,2-8H2,1H3,(H,17,19)(H2,16,18,20).
What are the key properties of 1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea?
1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea has a molecular weight of 325.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(5-propylthiophene-3-carbonyl)amino]thiourea is sourced from PubChem (CID 842878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).