N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide

C16H15N3O2S — CID 127391595

IUPACN-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide
SMILESN#CC1(NC(=O)c2cc(-c3ccccc3)ns2)CCOCC1
InChIInChI=1S/C16H15N3O2S/c17-11-16(6-8-21-9-7-16)18-15(20)14-10-13(19-22-14)12-4-2-1-3-5-12/h1-5,10H,6-9H2,(H,18,20)
InChIKeyBLTMEIYZOSZBJX-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.61
Rot. Bonds3

About N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide

N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide (PubChem CID 127391595) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide
PubChem CID127391595
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide
SMILESN#CC1(NC(=O)c2cc(-c3ccccc3)ns2)CCOCC1
InChIInChI=1S/C16H15N3O2S/c17-11-16(6-8-21-9-7-16)18-15(20)14-10-13(19-22-14)12-4-2-1-3-5-12/h1-5,10H,6-9H2,(H,18,20)
InChIKeyBLTMEIYZOSZBJX-UHFFFAOYSA-N
XLogP2.61
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide?
The IUPAC name of N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide (CID 127391595) is N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide is N#CC1(NC(=O)c2cc(-c3ccccc3)ns2)CCOCC1.
What is the InChIKey of N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide?
The InChIKey is BLTMEIYZOSZBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-11-16(6-8-21-9-7-16)18-15(20)14-10-13(19-22-14)12-4-2-1-3-5-12/h1-5,10H,6-9H2,(H,18,20).
What are the key properties of N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide?
N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanooxan-4-yl)-3-phenyl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 127391595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).