2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol

C10H11NOS2 — CID 116889582

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
SMILESCc1ccc(-c2nc(CCS)cs2)o1
InChIInChI=1S/C10H11NOS2/c1-7-2-3-9(12-7)10-11-8(4-5-13)6-14-10/h2-3,6,13H,4-5H2,1H3
InChIKeyLCLXBTCOSWDJED-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.18
Rot. Bonds3

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol (PubChem CID 116889582) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
PubChem CID116889582
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
SMILESCc1ccc(-c2nc(CCS)cs2)o1
InChIInChI=1S/C10H11NOS2/c1-7-2-3-9(12-7)10-11-8(4-5-13)6-14-10/h2-3,6,13H,4-5H2,1H3
InChIKeyLCLXBTCOSWDJED-UHFFFAOYSA-N
XLogP3.18
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.18
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

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089119
2-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089115
[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892150
1-(4-aminopiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119375215
2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile
CID 47395660
2-(5-methylfuran-2-yl)-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,3-thiazole
CID 46445342
1-(4-methoxypiperidin-1-yl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 56811934
3-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089135
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089095
(2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol
CID 52537591
2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119195381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol (CID 116889582) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol is Cc1ccc(-c2nc(CCS)cs2)o1.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol?
The InChIKey is LCLXBTCOSWDJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-7-2-3-9(12-7)10-11-8(4-5-13)6-14-10/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol has a molecular weight of 225.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol is sourced from PubChem (CID 116889582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).