phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate

C16H17N3O2S — CID 134096848

IUPACphenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate
SMILESCCCC(C)c1nsc(NC(=O)Oc2ccccc2)c1C#N
InChIInChI=1S/C16H17N3O2S/c1-3-7-11(2)14-13(10-17)15(22-19-14)18-16(20)21-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7H2,1-2H3,(H,18,20)
InChIKeyRCLBLPJQSMHJAN-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.53
Rot. Bonds5

About phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate

phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate (PubChem CID 134096848) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate
PubChem CID134096848
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Namephenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate
SMILESCCCC(C)c1nsc(NC(=O)Oc2ccccc2)c1C#N
InChIInChI=1S/C16H17N3O2S/c1-3-7-11(2)14-13(10-17)15(22-19-14)18-16(20)21-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7H2,1-2H3,(H,18,20)
InChIKeyRCLBLPJQSMHJAN-UHFFFAOYSA-N
XLogP4.53
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate?
The IUPAC name of phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate (CID 134096848) is phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate?
The canonical SMILES for phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate is CCCC(C)c1nsc(NC(=O)Oc2ccccc2)c1C#N.
What is the InChIKey of phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate?
The InChIKey is RCLBLPJQSMHJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-3-7-11(2)14-13(10-17)15(22-19-14)18-16(20)21-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7H2,1-2H3,(H,18,20).
What are the key properties of phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate?
phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate has a molecular weight of 315.40 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-cyano-3-pentan-2-yl-1,2-thiazol-5-yl)carbamate is sourced from PubChem (CID 134096848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).