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

C14H15NS2 — CID 116889549

IUPAC2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol
SMILESSCCc1csc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H15NS2/c16-7-6-13-9-17-14(15-13)12-5-4-10-2-1-3-11(10)8-12/h4-5,8-9,16H,1-3,6-7H2
InChIKeyRIWIXAKBRJNBPO-UHFFFAOYSA-N
MW261.42 g/mol
LogP3.77
Rot. Bonds3

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

2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol (PubChem CID 116889549) has the molecular formula C14H15NS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol
PubChem CID116889549
Molecular FormulaC14H15NS2
Molecular Weight261.42 g/mol
Exact Mass261.06
IUPAC Name2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol
SMILESSCCc1csc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H15NS2/c16-7-6-13-9-17-14(15-13)12-5-4-10-2-1-3-11(10)8-12/h4-5,8-9,16H,1-3,6-7H2
InChIKeyRIWIXAKBRJNBPO-UHFFFAOYSA-N
XLogP3.77
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889140
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanethiol
CID 116889576
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-4-amine
CID 116864191
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888092
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 47093261
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
2-[2-methyl-5-(2-methylcyclopropyl)-4-[[2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,3-thiazol-4-yl]methyl]phenyl]ethanamine
CID 144794698
2-[2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 83969649
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9076127
2-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]ethanethiol
CID 116879281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol?
The IUPAC name of 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol (CID 116889549) is 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol is SCCc1csc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol?
The InChIKey is RIWIXAKBRJNBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS2/c16-7-6-13-9-17-14(15-13)12-5-4-10-2-1-3-11(10)8-12/h4-5,8-9,16H,1-3,6-7H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol?
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol has a molecular weight of 261.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]ethanethiol is sourced from PubChem (CID 116889549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).