2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine

C6H10N2S2 — CID 83108600

IUPAC2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine
SMILESCCSCc1nc(N)cs1
InChIInChI=1S/C6H10N2S2/c1-2-9-4-6-8-5(7)3-10-6/h3H,2,4,7H2,1H3
InChIKeyXGRWLNPWBLHWJJ-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.98
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine

2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine (PubChem CID 83108600) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine
PubChem CID83108600
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine
SMILESCCSCc1nc(N)cs1
InChIInChI=1S/C6H10N2S2/c1-2-9-4-6-8-5(7)3-10-6/h3H,2,4,7H2,1H3
InChIKeyXGRWLNPWBLHWJJ-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine (CID 83108600) is 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine is CCSCc1nc(N)cs1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine?
The InChIKey is XGRWLNPWBLHWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-2-9-4-6-8-5(7)3-10-6/h3H,2,4,7H2,1H3.
What are the key properties of 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine?
2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine has a molecular weight of 174.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 83108600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).