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

C14H18N4OS — CID 138529996

IUPAC(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESN#CNC1C[C@H]1C(=O)Nc1ncc(C2CCCCC2)s1
InChIInChI=1S/C14H18N4OS/c15-8-17-11-6-10(11)13(19)18-14-16-7-12(20-14)9-4-2-1-3-5-9/h7,9-11,17H,1-6H2,(H,16,18,19)/t10-,11?/m1/s1
InChIKeyUTZJWNZTWUWTDR-NFJWQWPMSA-N
MW290.39 g/mol
LogP2.59
Rot. Bonds4

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

(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (PubChem CID 138529996) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
PubChem CID138529996
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
SMILESN#CNC1C[C@H]1C(=O)Nc1ncc(C2CCCCC2)s1
InChIInChI=1S/C14H18N4OS/c15-8-17-11-6-10(11)13(19)18-14-16-7-12(20-14)9-4-2-1-3-5-9/h7,9-11,17H,1-6H2,(H,16,18,19)/t10-,11?/m1/s1
InChIKeyUTZJWNZTWUWTDR-NFJWQWPMSA-N
XLogP2.59
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.59
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 (1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide (CID 138529996) is (1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is N#CNC1C[C@H]1C(=O)Nc1ncc(C2CCCCC2)s1.
What is the InChIKey of (1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
The InChIKey is UTZJWNZTWUWTDR-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-8-17-11-6-10(11)13(19)18-14-16-7-12(20-14)9-4-2-1-3-5-9/h7,9-11,17H,1-6H2,(H,16,18,19)/t10-,11?/m1/s1.
What are the key properties of (1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide?
(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 138529996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).