[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol

C11H13NS3 — CID 58112029

IUPAC[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol
SMILESCc1nc(CCc2ccc(CS)s2)cs1
InChIInChI=1S/C11H13NS3/c1-8-12-9(7-14-8)2-3-10-4-5-11(6-13)15-10/h4-5,7,13H,2-3,6H2,1H3
InChIKeyJMADOBPLZNIJNB-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.73
Rot. Bonds4

About [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol

[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol (PubChem CID 58112029) has the molecular formula C11H13NS3 and a molecular weight of 255.43 g/mol. Its IUPAC name is [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol.

Molecular Properties

Compound Name[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol
PubChem CID58112029
Molecular FormulaC11H13NS3
Molecular Weight255.43 g/mol
Exact Mass255.02
IUPAC Name[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol
SMILESCc1nc(CCc2ccc(CS)s2)cs1
InChIInChI=1S/C11H13NS3/c1-8-12-9(7-14-8)2-3-10-4-5-11(6-13)15-10/h4-5,7,13H,2-3,6H2,1H3
InChIKeyJMADOBPLZNIJNB-UHFFFAOYSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiazole, 2-methyl-4-(2-(2-thienyl)ethynyl)-
CID 11535796
[5-(2-Methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanamine
CID 7130823
2,4-Dithiophen-2-ylthiazole
CID 2546578
2-Methyl-4-(2-thienyl)-1,3-thiazole
CID 735733
2-(4-(Thiophen-2-yl)thiazol-2-yl)acetonitrile
CID 1095923
4-Tert-butyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazole
CID 2741012
2-Chloro-4-(5-methylthiophen-2-yl)-1,3-thiazole
CID 62941980
4-(1-Fluoroethenyl)-2-thiophen-2-yl-1,3-thiazole
CID 57382628
4-Methyl-2-thiophen-2-yl-1,3-thiazole
CID 5186862
2,5-Dimethyl-4-(2-thienyl)-1,3-thiazole
CID 20818015
4-Methyl-2-phenethyl-thiazole
CID 24977523
4-[(Z)-1-fluoronon-1-enyl]-2-thiophen-2-yl-1,3-thiazole
CID 102181353

Frequently Asked Questions

What is the IUPAC name of [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol?
The IUPAC name of [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol (CID 58112029) is [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol.
What is the SMILES notation for [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol?
The canonical SMILES for [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol is Cc1nc(CCc2ccc(CS)s2)cs1.
What is the InChIKey of [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol?
The InChIKey is JMADOBPLZNIJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS3/c1-8-12-9(7-14-8)2-3-10-4-5-11(6-13)15-10/h4-5,7,13H,2-3,6H2,1H3.
What are the key properties of [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol?
[5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol has a molecular weight of 255.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiophen-2-yl]methanethiol is sourced from PubChem (CID 58112029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).