[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine

C6H10N2S2 — CID 37134626

IUPAC[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESCSCc1nc(CN)cs1
InChIInChI=1S/C6H10N2S2/c1-9-4-6-8-5(2-7)3-10-6/h3H,2,4,7H2,1H3
InChIKeyXYCMJBJXBKYRON-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.46
Rot. Bonds3

About [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine

[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 37134626) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
PubChem CID37134626
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine
SMILESCSCc1nc(CN)cs1
InChIInChI=1S/C6H10N2S2/c1-9-4-6-8-5(2-7)3-10-6/h3H,2,4,7H2,1H3
InChIKeyXYCMJBJXBKYRON-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine (CID 37134626) is [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine is CSCc1nc(CN)cs1.
What is the InChIKey of [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is XYCMJBJXBKYRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-9-4-6-8-5(2-7)3-10-6/h3H,2,4,7H2,1H3.
What are the key properties of [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine?
[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 174.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 37134626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).