3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide

C15H20N4OS — CID 155164781

IUPAC3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide
SMILESN#CNC1CC(C(=O)Nc2cnc(C3CCCCC3)s2)C1
InChIInChI=1S/C15H20N4OS/c16-9-18-12-6-11(7-12)14(20)19-13-8-17-15(21-13)10-4-2-1-3-5-10/h8,10-12,18H,1-7H2,(H,19,20)
InChIKeyRPLDHVKOMRKWKT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.98
Rot. Bonds4

About 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide

3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide (PubChem CID 155164781) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide
PubChem CID155164781
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide
SMILESN#CNC1CC(C(=O)Nc2cnc(C3CCCCC3)s2)C1
InChIInChI=1S/C15H20N4OS/c16-9-18-12-6-11(7-12)14(20)19-13-8-17-15(21-13)10-4-2-1-3-5-10/h8,10-12,18H,1-7H2,(H,19,20)
InChIKeyRPLDHVKOMRKWKT-UHFFFAOYSA-N
XLogP2.98
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide (CID 155164781) is 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide is N#CNC1CC(C(=O)Nc2cnc(C3CCCCC3)s2)C1.
What is the InChIKey of 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is RPLDHVKOMRKWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-9-18-12-6-11(7-12)14(20)19-13-8-17-15(21-13)10-4-2-1-3-5-10/h8,10-12,18H,1-7H2,(H,19,20).
What are the key properties of 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide?
3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanoamino)-N-(2-cyclohexyl-1,3-thiazol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 155164781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).