2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol

C13H11N3OS — CID 137000832

IUPAC2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol
SMILESCn1nccc1-c1csc(-c2ccccc2O)n1
InChIInChI=1S/C13H11N3OS/c1-16-11(6-7-14-16)10-8-18-13(15-10)9-4-2-3-5-12(9)17/h2-8,17H,1H3
InChIKeyKTGHEXXWBZJWEC-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.92
Rot. Bonds2

About 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol

2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol (PubChem CID 137000832) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol
PubChem CID137000832
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol
SMILESCn1nccc1-c1csc(-c2ccccc2O)n1
InChIInChI=1S/C13H11N3OS/c1-16-11(6-7-14-16)10-8-18-13(15-10)9-4-2-3-5-12(9)17/h2-8,17H,1H3
InChIKeyKTGHEXXWBZJWEC-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 106758880
4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
CID 126838147
2-[4-(1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136930256
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]phenol
CID 136849095
2-[2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 130162444
2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]phenol
CID 105460333
2-[2-(1H-indazol-3-yl)-1,3-thiazol-4-yl]phenol
CID 22259251
(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167939990
4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol
CID 136843777
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methanamine
CID 84661560
2-(4-ethynyl-1,3-thiazol-2-yl)phenol
CID 136801055

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol (CID 137000832) is 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol is Cn1nccc1-c1csc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol?
The InChIKey is KTGHEXXWBZJWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-16-11(6-7-14-16)10-8-18-13(15-10)9-4-2-3-5-12(9)17/h2-8,17H,1H3.
What are the key properties of 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol?
2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol has a molecular weight of 257.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 137000832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).