N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

C11H14N2OS — CID 579214

IUPACN-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1nccs1)C1C2CCCCC21
InChIInChI=1S/C11H14N2OS/c14-10(13-11-12-5-6-15-11)9-7-3-1-2-4-8(7)9/h5-9H,1-4H2,(H,12,13,14)
InChIKeyBAWKEKVDOTXEOU-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.52
Rot. Bonds2

About N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 579214) 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[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID579214
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1nccs1)C1C2CCCCC21
InChIInChI=1S/C11H14N2OS/c14-10(13-11-12-5-6-15-11)9-7-3-1-2-4-8(7)9/h5-9H,1-4H2,(H,12,13,14)
InChIKeyBAWKEKVDOTXEOU-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (CID 579214) is N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1nccs1)C1C2CCCCC21.
What is the InChIKey of N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is BAWKEKVDOTXEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c14-10(13-11-12-5-6-15-11)9-7-3-1-2-4-8(7)9/h5-9H,1-4H2,(H,12,13,14).
What are the key properties of N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-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[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 579214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).