2-(1,3-thiazol-2-ylamino)ethanethiol

C5H8N2S2 — CID 88739405

IUPAC2-(1,3-thiazol-2-ylamino)ethanethiol
SMILESSCCNc1nccs1
InChIInChI=1S/C5H8N2S2/c8-3-1-6-5-7-2-4-9-5/h2,4,8H,1,3H2,(H,6,7)
InChIKeyKUQIQWMECHQHJD-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.48
Rot. Bonds3

About 2-(1,3-thiazol-2-ylamino)ethanethiol

2-(1,3-thiazol-2-ylamino)ethanethiol (PubChem CID 88739405) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylamino)ethanethiol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylamino)ethanethiol
PubChem CID88739405
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name2-(1,3-thiazol-2-ylamino)ethanethiol
SMILESSCCNc1nccs1
InChIInChI=1S/C5H8N2S2/c8-3-1-6-5-7-2-4-9-5/h2,4,8H,1,3H2,(H,6,7)
InChIKeyKUQIQWMECHQHJD-UHFFFAOYSA-N
XLogP1.48
TPSA24.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 59694819
CID 59694819
N'-propan-2-yl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 20786153
5-(1,3-thiazol-2-ylamino)pentan-1-ol
CID 107318090
N-cyclopropyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62663409
N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 60659943
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
N-(5-methylhexyl)-1,3-thiazol-2-amine
CID 115326150
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072
N-(3-phenylbutyl)-1,3-thiazol-2-amine
CID 62402809
N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
CID 60658715
N-methyl-2-(1,3-thiazol-2-ylamino)ethanesulfonamide
CID 106337764

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylamino)ethanethiol?
The IUPAC name of 2-(1,3-thiazol-2-ylamino)ethanethiol (CID 88739405) is 2-(1,3-thiazol-2-ylamino)ethanethiol.
What is the SMILES notation for 2-(1,3-thiazol-2-ylamino)ethanethiol?
The canonical SMILES for 2-(1,3-thiazol-2-ylamino)ethanethiol is SCCNc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylamino)ethanethiol?
The InChIKey is KUQIQWMECHQHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c8-3-1-6-5-7-2-4-9-5/h2,4,8H,1,3H2,(H,6,7).
What are the key properties of 2-(1,3-thiazol-2-ylamino)ethanethiol?
2-(1,3-thiazol-2-ylamino)ethanethiol has a molecular weight of 160.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylamino)ethanethiol is sourced from PubChem (CID 88739405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).