N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

C12H16N2OS — CID 2836980

IUPACN-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cnc(NC(=O)C2CC3CCC2C3)s1
InChIInChI=1S/C12H16N2OS/c1-7-6-13-12(16-7)14-11(15)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H,13,14,15)
InChIKeyBSFIVAQEGXLFCF-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.83
Rot. Bonds2

About N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2836980) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2836980
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cnc(NC(=O)C2CC3CCC2C3)s1
InChIInChI=1S/C12H16N2OS/c1-7-6-13-12(16-7)14-11(15)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H,13,14,15)
InChIKeyBSFIVAQEGXLFCF-UHFFFAOYSA-N
XLogP2.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.83
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)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2836980) is N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1cnc(NC(=O)C2CC3CCC2C3)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BSFIVAQEGXLFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7-6-13-12(16-7)14-11(15)10-5-8-2-3-9(10)4-8/h6,8-10H,2-5H2,1H3,(H,13,14,15).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.83, 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)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2836980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).