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

C10H11N3O2S — CID 62788276

IUPAC2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccoc1)C(=O)c1csc(N)n1
InChIInChI=1S/C10H11N3O2S/c1-13(4-7-2-3-15-5-7)9(14)8-6-16-10(11)12-8/h2-3,5-6H,4H2,1H3,(H2,11,12)
InChIKeyGQDBPJRBUZAHIY-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.59
Rot. Bonds3

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

2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 62788276) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID62788276
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccoc1)C(=O)c1csc(N)n1
InChIInChI=1S/C10H11N3O2S/c1-13(4-7-2-3-15-5-7)9(14)8-6-16-10(11)12-8/h2-3,5-6H,4H2,1H3,(H2,11,12)
InChIKeyGQDBPJRBUZAHIY-UHFFFAOYSA-N
XLogP1.59
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 62788276) is 2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1ccoc1)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GQDBPJRBUZAHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-13(4-7-2-3-15-5-7)9(14)8-6-16-10(11)12-8/h2-3,5-6H,4H2,1H3,(H2,11,12).
What are the key properties of 2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(furan-3-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).