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

C16H18N4O2S — CID 51088658

IUPAC2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C16H18N4O2S/c1-11(2)20(9-12-7-17-19(3)8-12)16(21)13-10-23-15(18-13)14-5-4-6-22-14/h4-8,10-11H,9H2,1-3H3
InChIKeyNVFGIJUMGBOCFH-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.19
Rot. Bonds5

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

2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 51088658) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID51088658
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)c1csc(-c2ccco2)n1
InChIInChI=1S/C16H18N4O2S/c1-11(2)20(9-12-7-17-19(3)8-12)16(21)13-10-23-15(18-13)14-5-4-6-22-14/h4-8,10-11H,9H2,1-3H3
InChIKeyNVFGIJUMGBOCFH-UHFFFAOYSA-N
XLogP3.19
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 51088658) is 2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(Cc1cnn(C)c1)C(=O)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NVFGIJUMGBOCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11(2)20(9-12-7-17-19(3)8-12)16(21)13-10-23-15(18-13)14-5-4-6-22-14/h4-8,10-11H,9H2,1-3H3.
What are the key properties of 2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51088658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).