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

C11H14N2OS — CID 3121269

IUPACN-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1nccs1)C1CC2CCC1C2
InChIInChI=1S/C11H14N2OS/c14-10(13-11-12-3-4-15-11)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,12,13,14)
InChIKeyPHKMYNOCRCZCOU-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.52
Rot. Bonds2

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

N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 3121269) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID3121269
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1nccs1)C1CC2CCC1C2
InChIInChI=1S/C11H14N2OS/c14-10(13-11-12-3-4-15-11)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,12,13,14)
InChIKeyPHKMYNOCRCZCOU-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 2666601
3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 711478
4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 1246597
3,3-dimethyl-2-methylidene-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 663198
N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 585608
2-(1,3-thiazol-2-yl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2936260
Bicyclo[4.1.0]heptane-7-carboxamide, N-(2-thiazolyl)-
CID 579214
3-Cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 567664
2-(adamantan-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2741141
N-(5-methyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2836980
4,7,7-trimethyl-3-oxo-N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-1-carboxamide
CID 2898031
9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 5067003

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 3121269) is N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1nccs1)C1CC2CCC1C2.
What is the InChIKey of N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PHKMYNOCRCZCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-10(13-11-12-3-4-15-11)9-6-7-1-2-8(9)5-7/h3-4,7-9H,1-2,5-6H2,(H,12,13,14).
What are the key properties of N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 3121269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).