N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C16H16N4O2S — CID 86797967

IUPACN-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)nn1C
InChIInChI=1S/C16H16N4O2S/c1-10-14(23-16(17-10)11-7-5-4-6-8-11)15(21)18-12-9-13(22-3)20(2)19-12/h4-9H,1-3H3,(H,18,19,21)
InChIKeyUDTHYTBJBVMWFT-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.11
Rot. Bonds4

About N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 86797967) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID86797967
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)nn1C
InChIInChI=1S/C16H16N4O2S/c1-10-14(23-16(17-10)11-7-5-4-6-8-11)15(21)18-12-9-13(22-3)20(2)19-12/h4-9H,1-3H3,(H,18,19,21)
InChIKeyUDTHYTBJBVMWFT-UHFFFAOYSA-N
XLogP3.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 86797967) is N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2sc(-c3ccccc3)nc2C)nn1C.
What is the InChIKey of N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is UDTHYTBJBVMWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-14(23-16(17-10)11-7-5-4-6-8-11)15(21)18-12-9-13(22-3)20(2)19-12/h4-9H,1-3H3,(H,18,19,21).
What are the key properties of N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1-methylpyrazol-3-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86797967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).