2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide

C9H8N2O2S — CID 71932200

IUPAC2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccoc2)n1
InChIInChI=1S/C9H8N2O2S/c1-10-8(12)7-5-14-9(11-7)6-2-3-13-4-6/h2-5H,1H3,(H,10,12)
InChIKeyCKVWIIWIGIUZHT-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.76
Rot. Bonds2

About 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide

2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 71932200) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID71932200
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(-c2ccoc2)n1
InChIInChI=1S/C9H8N2O2S/c1-10-8(12)7-5-14-9(11-7)6-2-3-13-4-6/h2-5H,1H3,(H,10,12)
InChIKeyCKVWIIWIGIUZHT-UHFFFAOYSA-N
XLogP1.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide (CID 71932200) is 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is CKVWIIWIGIUZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-10-8(12)7-5-14-9(11-7)6-2-3-13-4-6/h2-5H,1H3,(H,10,12).
What are the key properties of 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 208.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71932200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).