[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol

C15H14N2OS2 — CID 63752108

IUPAC[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol
SMILESCc1nc(C)c(-c2csc(C(O)c3ccccc3)n2)s1
InChIInChI=1S/C15H14N2OS2/c1-9-14(20-10(2)16-9)12-8-19-15(17-12)13(18)11-6-4-3-5-7-11/h3-8,13,18H,1-2H3
InChIKeyZPVOUYUQJIIULW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.97
Rot. Bonds3

About [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol

[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol (PubChem CID 63752108) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol
PubChem CID63752108
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol
SMILESCc1nc(C)c(-c2csc(C(O)c3ccccc3)n2)s1
InChIInChI=1S/C15H14N2OS2/c1-9-14(20-10(2)16-9)12-8-19-15(17-12)13(18)11-6-4-3-5-7-11/h3-8,13,18H,1-2H3
InChIKeyZPVOUYUQJIIULW-UHFFFAOYSA-N
XLogP3.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol?
The IUPAC name of [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol (CID 63752108) is [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol.
What is the SMILES notation for [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol?
The canonical SMILES for [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol is Cc1nc(C)c(-c2csc(C(O)c3ccccc3)n2)s1.
What is the InChIKey of [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol?
The InChIKey is ZPVOUYUQJIIULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-9-14(20-10(2)16-9)12-8-19-15(17-12)13(18)11-6-4-3-5-7-11/h3-8,13,18H,1-2H3.
What are the key properties of [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol?
[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol has a molecular weight of 302.42 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol is sourced from PubChem (CID 63752108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).