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

C16H16N4O2S — CID 111118111

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCn1cc(-c2ncc(C(=O)Nc3ccc(CCO)cc3)s2)cn1
InChIInChI=1S/C16H16N4O2S/c1-20-10-12(8-18-20)16-17-9-14(23-16)15(22)19-13-4-2-11(3-5-13)6-7-21/h2-5,8-10,21H,6-7H2,1H3,(H,19,22)
InChIKeyQQWAIIWPHJQPOF-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.33
Rot. Bonds5

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

N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 111118111) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID111118111
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCn1cc(-c2ncc(C(=O)Nc3ccc(CCO)cc3)s2)cn1
InChIInChI=1S/C16H16N4O2S/c1-20-10-12(8-18-20)16-17-9-14(23-16)15(22)19-13-4-2-11(3-5-13)6-7-21/h2-5,8-10,21H,6-7H2,1H3,(H,19,22)
InChIKeyQQWAIIWPHJQPOF-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 111118111) is N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is Cn1cc(-c2ncc(C(=O)Nc3ccc(CCO)cc3)s2)cn1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is QQWAIIWPHJQPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-20-10-12(8-18-20)16-17-9-14(23-16)15(22)19-13-4-2-11(3-5-13)6-7-21/h2-5,8-10,21H,6-7H2,1H3,(H,19,22).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111118111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).