[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol

C13H13NOS — CID 71998381

IUPAC[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C13H13NOS/c15-7-13-14-12(8-16-13)11-5-4-9-2-1-3-10(9)6-11/h4-6,8,15H,1-3,7H2
InChIKeyJVSQBBHTRWFLSM-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.79
Rot. Bonds2

About [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol

[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol (PubChem CID 71998381) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
PubChem CID71998381
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
SMILESOCc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C13H13NOS/c15-7-13-14-12(8-16-13)11-5-4-9-2-1-3-10(9)6-11/h4-6,8,15H,1-3,7H2
InChIKeyJVSQBBHTRWFLSM-UHFFFAOYSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-thiazol-2-yl]methanol
CID 114803051
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9174362
2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid
CID 20983524
2-[(2-tert-butyl-4,5-dimethylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazole
CID 144676427
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878542
2-amino-4-methyl-5-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methyl]benzonitrile
CID 90322282
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965909
3-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889140

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol (CID 71998381) is [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol is OCc1nc(-c2ccc3c(c2)CCC3)cs1.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol?
The InChIKey is JVSQBBHTRWFLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c15-7-13-14-12(8-16-13)11-5-4-9-2-1-3-10(9)6-11/h4-6,8,15H,1-3,7H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol?
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol has a molecular weight of 231.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 71998381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).