2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide

C14H14N4O2S — CID 31974342

IUPAC2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccnn3C)cs2)o1
InChIInChI=1S/C14H14N4O2S/c1-9-3-4-12(20-9)14-17-11(8-21-14)13(19)15-7-10-5-6-16-18(10)2/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyKEVGGTZHDYVZAN-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.38
Rot. Bonds4

About 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide

2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 31974342) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID31974342
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCc3ccnn3C)cs2)o1
InChIInChI=1S/C14H14N4O2S/c1-9-3-4-12(20-9)14-17-11(8-21-14)13(19)15-7-10-5-6-16-18(10)2/h3-6,8H,7H2,1-2H3,(H,15,19)
InChIKeyKEVGGTZHDYVZAN-UHFFFAOYSA-N
XLogP2.38
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 31974342) is 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)NCc3ccnn3C)cs2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KEVGGTZHDYVZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-3-4-12(20-9)14-17-11(8-21-14)13(19)15-7-10-5-6-16-18(10)2/h3-6,8H,7H2,1-2H3,(H,15,19).
What are the key properties of 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 31974342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).