2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol

C14H15NO2S — CID 116890568

IUPAC2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C14H15NO2S/c1-14(2,16)12-8-18-13(15-12)10-3-4-11-9(7-10)5-6-17-11/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyKGIQELJDCOBGHC-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.97
Rot. Bonds2

About 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol

2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol (PubChem CID 116890568) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
PubChem CID116890568
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C14H15NO2S/c1-14(2,16)12-8-18-13(15-12)10-3-4-11-9(7-10)5-6-17-11/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyKGIQELJDCOBGHC-UHFFFAOYSA-N
XLogP2.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-yl-1,3-thiazole
CID 58689212
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920
2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
CID 116889808
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890539
methyl 3-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propanoate
CID 100677303
2-(2,3-dihydro-1-benzofuran-5-yl)-4-(4-methyl-3-pyridinyl)-1,3-thiazole
CID 91013706
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 144760922
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
methyl 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 121339129
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888092
4-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxy-1,3-thiazole
CID 116967801
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid
CID 141437755

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol (CID 116890568) is 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol is CC(C)(O)c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol?
The InChIKey is KGIQELJDCOBGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-14(2,16)12-8-18-13(15-12)10-3-4-11-9(7-10)5-6-17-11/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol?
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol has a molecular weight of 261.35 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]propan-2-ol is sourced from PubChem (CID 116890568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).