N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

C11H16N2OS — CID 2886398

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1=NCCS1)C1CC2CCC1C2
InChIInChI=1S/C11H16N2OS/c14-10(13-11-12-3-4-15-11)9-6-7-1-2-8(9)5-7/h7-9H,1-6H2,(H,12,13,14)
InChIKeyHTYLXNMMALQHHI-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.64
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 2886398) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID2886398
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1=NCCS1)C1CC2CCC1C2
InChIInChI=1S/C11H16N2OS/c14-10(13-11-12-3-4-15-11)9-6-7-1-2-8(9)5-7/h7-9H,1-6H2,(H,12,13,14)
InChIKeyHTYLXNMMALQHHI-UHFFFAOYSA-N
XLogP1.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 2886398) is N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(NC1=NCCS1)C1CC2CCC1C2.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HTYLXNMMALQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-10(13-11-12-3-4-15-11)9-6-7-1-2-8(9)5-7/h7-9H,1-6H2,(H,12,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 2886398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).