2-(4-methyl-1,3-thiazol-5-yl)ethanethiol

C6H9NS2 — CID 18690003

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
SMILESCc1ncsc1CCS
InChIInChI=1S/C6H9NS2/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
InChIKeyDHLKFLAPAAAFJT-UHFFFAOYSA-N
MW159.28 g/mol
LogP1.92
Rot. Bonds2

About 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol

2-(4-methyl-1,3-thiazol-5-yl)ethanethiol (PubChem CID 18690003) has the molecular formula C6H9NS2 and a molecular weight of 159.28 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
PubChem CID18690003
Molecular FormulaC6H9NS2
Molecular Weight159.28 g/mol
Exact Mass159.02
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
SMILESCc1ncsc1CCS
InChIInChI=1S/C6H9NS2/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
InChIKeyDHLKFLAPAAAFJT-UHFFFAOYSA-N
XLogP1.92
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 51.92
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

5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-(4-methyl-1,3-thiazol-5-yl)ethanamine;dihydrobromide
CID 53398787
5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
CID 70095117
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
CID 66818170
CID 66818170
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
5-(2-azidoethyl)-4-methyl-1,3-thiazole
CID 54670922
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol (CID 18690003) is 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol is Cc1ncsc1CCS.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol?
The InChIKey is DHLKFLAPAAAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS2/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol?
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol has a molecular weight of 159.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethanethiol is sourced from PubChem (CID 18690003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).