2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide

C9H7ClN2O2S — CID 106686593

IUPAC2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide
SMILESO=C(NCc1nccs1)c1ccoc1Cl
InChIInChI=1S/C9H7ClN2O2S/c10-8-6(1-3-14-8)9(13)12-5-7-11-2-4-15-7/h1-4H,5H2,(H,12,13)
InChIKeyQHHOLYIJOHFTAZ-UHFFFAOYSA-N
MW242.69 g/mol
LogP2.32
Rot. Bonds3

About 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide

2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide (PubChem CID 106686593) has the molecular formula C9H7ClN2O2S and a molecular weight of 242.69 g/mol. Its IUPAC name is 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide
PubChem CID106686593
Molecular FormulaC9H7ClN2O2S
Molecular Weight242.69 g/mol
Exact Mass241.99
IUPAC Name2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide
SMILESO=C(NCc1nccs1)c1ccoc1Cl
InChIInChI=1S/C9H7ClN2O2S/c10-8-6(1-3-14-8)9(13)12-5-7-11-2-4-15-7/h1-4H,5H2,(H,12,13)
InChIKeyQHHOLYIJOHFTAZ-UHFFFAOYSA-N
XLogP2.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide (CID 106686593) is 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide is O=C(NCc1nccs1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide?
The InChIKey is QHHOLYIJOHFTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S/c10-8-6(1-3-14-8)9(13)12-5-7-11-2-4-15-7/h1-4H,5H2,(H,12,13).
What are the key properties of 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide?
2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide has a molecular weight of 242.69 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 106686593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).