2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C16H16N4O2S — CID 136962141

IUPAC2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCn1cc(NC(=O)c2csc(-c3ccccc3O)n2)cn1
InChIInChI=1S/C16H16N4O2S/c1-2-7-20-9-11(8-17-20)18-15(22)13-10-23-16(19-13)12-5-3-4-6-14(12)21/h3-6,8-10,21H,2,7H2,1H3,(H,18,22)
InChIKeyXSUNGIAKIOZGRO-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.37
Rot. Bonds5

About 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 136962141) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID136962141
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCCCn1cc(NC(=O)c2csc(-c3ccccc3O)n2)cn1
InChIInChI=1S/C16H16N4O2S/c1-2-7-20-9-11(8-17-20)18-15(22)13-10-23-16(19-13)12-5-3-4-6-14(12)21/h3-6,8-10,21H,2,7H2,1H3,(H,18,22)
InChIKeyXSUNGIAKIOZGRO-UHFFFAOYSA-N
XLogP3.37
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 136962141) is 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CCCn1cc(NC(=O)c2csc(-c3ccccc3O)n2)cn1.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XSUNGIAKIOZGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-2-7-20-9-11(8-17-20)18-15(22)13-10-23-16(19-13)12-5-3-4-6-14(12)21/h3-6,8-10,21H,2,7H2,1H3,(H,18,22).
What are the key properties of 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-(1-propylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136962141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).