N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide

C16H17N3OS — CID 172895967

IUPACN-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide
SMILESCc1csc(-c2cccc(NC(=O)C3CC34CNC4)c2)n1
InChIInChI=1S/C16H17N3OS/c1-10-7-21-15(18-10)11-3-2-4-12(5-11)19-14(20)13-6-16(13)8-17-9-16/h2-5,7,13,17H,6,8-9H2,1H3,(H,19,20)
InChIKeyDMESOJCFYVCWQK-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.67
Rot. Bonds3

About N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide

N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide (PubChem CID 172895967) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide
PubChem CID172895967
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide
SMILESCc1csc(-c2cccc(NC(=O)C3CC34CNC4)c2)n1
InChIInChI=1S/C16H17N3OS/c1-10-7-21-15(18-10)11-3-2-4-12(5-11)19-14(20)13-6-16(13)8-17-9-16/h2-5,7,13,17H,6,8-9H2,1H3,(H,19,20)
InChIKeyDMESOJCFYVCWQK-UHFFFAOYSA-N
XLogP2.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide?
The IUPAC name of N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide (CID 172895967) is N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide?
The canonical SMILES for N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide is Cc1csc(-c2cccc(NC(=O)C3CC34CNC4)c2)n1.
What is the InChIKey of N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide?
The InChIKey is DMESOJCFYVCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10-7-21-15(18-10)11-3-2-4-12(5-11)19-14(20)13-6-16(13)8-17-9-16/h2-5,7,13,17H,6,8-9H2,1H3,(H,19,20).
What are the key properties of N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide?
N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-5-azaspiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 172895967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).