N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide

C11H12N2OS — CID 22398999

IUPACN-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESCc1cnc(NC(=O)C2=CCCC=C2)s1
InChIInChI=1S/C11H12N2OS/c1-8-7-12-11(15-8)13-10(14)9-5-3-2-4-6-9/h3,5-7H,2,4H2,1H3,(H,12,13,14)
InChIKeyIUWWSHPNGBOJPO-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.67
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 22398999) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID22398999
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESCc1cnc(NC(=O)C2=CCCC=C2)s1
InChIInChI=1S/C11H12N2OS/c1-8-7-12-11(15-8)13-10(14)9-5-3-2-4-6-9/h3,5-7H,2,4H2,1H3,(H,12,13,14)
InChIKeyIUWWSHPNGBOJPO-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide (CID 22398999) is N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide is Cc1cnc(NC(=O)C2=CCCC=C2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is IUWWSHPNGBOJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-7-12-11(15-8)13-10(14)9-5-3-2-4-6-9/h3,5-7H,2,4H2,1H3,(H,12,13,14).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 220.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 22398999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).