1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol

C15H15N3OS — CID 142057375

IUPAC1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol
SMILESCc1ccc(-c2sc(C(C)O)nc2-c2ccn[nH]2)cc1
InChIInChI=1S/C15H15N3OS/c1-9-3-5-11(6-4-9)14-13(12-7-8-16-18-12)17-15(20-14)10(2)19/h3-8,10,19H,1-2H3,(H,16,18)
InChIKeyNFHKQZUTJOCZNB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.56
Rot. Bonds3

About 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol

1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol (PubChem CID 142057375) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol
PubChem CID142057375
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol
SMILESCc1ccc(-c2sc(C(C)O)nc2-c2ccn[nH]2)cc1
InChIInChI=1S/C15H15N3OS/c1-9-3-5-11(6-4-9)14-13(12-7-8-16-18-12)17-15(20-14)10(2)19/h3-8,10,19H,1-2H3,(H,16,18)
InChIKeyNFHKQZUTJOCZNB-UHFFFAOYSA-N
XLogP3.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol (CID 142057375) is 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol is Cc1ccc(-c2sc(C(C)O)nc2-c2ccn[nH]2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is NFHKQZUTJOCZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-3-5-11(6-4-9)14-13(12-7-8-16-18-12)17-15(20-14)10(2)19/h3-8,10,19H,1-2H3,(H,16,18).
What are the key properties of 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol?
1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 285.37 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-4-(1H-pyrazol-5-yl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 142057375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).