2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide

C12H11N5O3S — CID 83090312

IUPAC2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2nc(-c3ccco3)sc2C)n1
InChIInChI=1S/C12H11N5O3S/c1-6-8(13-10(21-6)7-4-3-5-20-7)9(18)14-11-15-12(19-2)17-16-11/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyPIYINSXBTYYYCB-UHFFFAOYSA-N
MW305.32 g/mol
LogP2.09
Rot. Bonds4

About 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 83090312) has the molecular formula C12H11N5O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID83090312
Molecular FormulaC12H11N5O3S
Molecular Weight305.32 g/mol
Exact Mass305.06
IUPAC Name2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2nc(-c3ccco3)sc2C)n1
InChIInChI=1S/C12H11N5O3S/c1-6-8(13-10(21-6)7-4-3-5-20-7)9(18)14-11-15-12(19-2)17-16-11/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyPIYINSXBTYYYCB-UHFFFAOYSA-N
XLogP2.09
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide (CID 83090312) is 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide is COc1n[nH]c(NC(=O)c2nc(-c3ccco3)sc2C)n1.
What is the InChIKey of 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PIYINSXBTYYYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3S/c1-6-8(13-10(21-6)7-4-3-5-20-7)9(18)14-11-15-12(19-2)17-16-11/h3-5H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 305.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83090312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).