1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

C15H15NOS2 — CID 63737758

IUPAC1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2csc3ccccc23)cs1
InChIInChI=1S/C15H15NOS2/c1-10-16-12(9-18-10)7-13(17)6-11-8-19-15-5-3-2-4-14(11)15/h2-5,8-9,13,17H,6-7H2,1H3
InChIKeyLJIOJNLQWWJVJT-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.81
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol

1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (PubChem CID 63737758) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
PubChem CID63737758
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC Name1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
SMILESCc1nc(CC(O)Cc2csc3ccccc23)cs1
InChIInChI=1S/C15H15NOS2/c1-10-16-12(9-18-10)7-13(17)6-11-8-19-15-5-3-2-4-14(11)15/h2-5,8-9,13,17H,6-7H2,1H3
InChIKeyLJIOJNLQWWJVJT-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 63737757
1-(2-methyl-1,3-thiazol-4-yl)-3-phenylpropan-2-ol
CID 62798798
1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 63738831
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
1-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 62799671
1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105083372
1-(1-benzothiophen-3-yl)-4-(dimethylamino)butan-2-ol
CID 113291149
1-(2,4-difluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 55119653
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 65321611
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997202
3-(2-methyl-1,3-thiazol-4-yl)-1-phenylpropane-1,2-diol
CID 103459359

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol (CID 63737758) is 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is Cc1nc(CC(O)Cc2csc3ccccc23)cs1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
The InChIKey is LJIOJNLQWWJVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS2/c1-10-16-12(9-18-10)7-13(17)6-11-8-19-15-5-3-2-4-14(11)15/h2-5,8-9,13,17H,6-7H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol?
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol has a molecular weight of 289.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol is sourced from PubChem (CID 63737758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).