N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide

C15H19ClN4OS — CID 155164782

IUPACN-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide
SMILESN#CNC1CC(C(=O)Nc2sc(C3CCCCC3)nc2Cl)C1
InChIInChI=1S/C15H19ClN4OS/c16-12-15(20-13(21)10-6-11(7-10)18-8-17)22-14(19-12)9-4-2-1-3-5-9/h9-11,18H,1-7H2,(H,20,21)
InChIKeyFCGUFDMQXBKATI-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.63
Rot. Bonds4

About N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide

N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide (PubChem CID 155164782) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide
PubChem CID155164782
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC NameN-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide
SMILESN#CNC1CC(C(=O)Nc2sc(C3CCCCC3)nc2Cl)C1
InChIInChI=1S/C15H19ClN4OS/c16-12-15(20-13(21)10-6-11(7-10)18-8-17)22-14(19-12)9-4-2-1-3-5-9/h9-11,18H,1-7H2,(H,20,21)
InChIKeyFCGUFDMQXBKATI-UHFFFAOYSA-N
XLogP3.63
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.63
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 N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide (CID 155164782) is N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide is N#CNC1CC(C(=O)Nc2sc(C3CCCCC3)nc2Cl)C1.
What is the InChIKey of N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide?
The InChIKey is FCGUFDMQXBKATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c16-12-15(20-13(21)10-6-11(7-10)18-8-17)22-14(19-12)9-4-2-1-3-5-9/h9-11,18H,1-7H2,(H,20,21).
What are the key properties of N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide?
N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide has a molecular weight of 338.86 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-cyclohexyl-1,3-thiazol-5-yl)-3-(cyanoamino)cyclobutane-1-carboxamide is sourced from PubChem (CID 155164782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).