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

C14H10BrNOS2 — CID 63346605

IUPAC[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C14H10BrNOS2/c15-12-7-6-11(19-12)10-8-18-14(16-10)13(17)9-4-2-1-3-5-9/h1-8,13,17H
InChIKeyYFFTXBYGKOMQSX-UHFFFAOYSA-N
MW352.28 g/mol
LogP4.72
Rot. Bonds3

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

[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol (PubChem CID 63346605) has the molecular formula C14H10BrNOS2 and a molecular weight of 352.28 g/mol. Its IUPAC name is [4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
PubChem CID63346605
Molecular FormulaC14H10BrNOS2
Molecular Weight352.28 g/mol
Exact Mass350.94
IUPAC Name[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(-c2ccc(Br)s2)cs1
InChIInChI=1S/C14H10BrNOS2/c15-12-7-6-11(19-12)10-8-18-14(16-10)13(17)9-4-2-1-3-5-9/h1-8,13,17H
InChIKeyYFFTXBYGKOMQSX-UHFFFAOYSA-N
XLogP4.72
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol?
The IUPAC name of [4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol (CID 63346605) is [4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol.
What is the SMILES notation for [4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol?
The canonical SMILES for [4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol is OC(c1ccccc1)c1nc(-c2ccc(Br)s2)cs1.
What is the InChIKey of [4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol?
The InChIKey is YFFTXBYGKOMQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNOS2/c15-12-7-6-11(19-12)10-8-18-14(16-10)13(17)9-4-2-1-3-5-9/h1-8,13,17H.
What are the key properties of [4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol?
[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol has a molecular weight of 352.28 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-phenylmethanol is sourced from PubChem (CID 63346605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).