1,3-thiazol-4-ylmethylsulfanylmethanamine

C5H8N2S2 — CID 130369230

IUPAC1,3-thiazol-4-ylmethylsulfanylmethanamine
SMILESNCSCc1cscn1
InChIInChI=1S/C5H8N2S2/c6-3-8-1-5-2-9-4-7-5/h2,4H,1,3,6H2
InChIKeyUZVPSELLDUBRCM-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.29
Rot. Bonds3

About 1,3-thiazol-4-ylmethylsulfanylmethanamine

1,3-thiazol-4-ylmethylsulfanylmethanamine (PubChem CID 130369230) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is 1,3-thiazol-4-ylmethylsulfanylmethanamine.

Molecular Properties

Compound Name1,3-thiazol-4-ylmethylsulfanylmethanamine
PubChem CID130369230
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC Name1,3-thiazol-4-ylmethylsulfanylmethanamine
SMILESNCSCc1cscn1
InChIInChI=1S/C5H8N2S2/c6-3-8-1-5-2-9-4-7-5/h2,4H,1,3,6H2
InChIKeyUZVPSELLDUBRCM-UHFFFAOYSA-N
XLogP1.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine
CID 66353488
4-(fluoromethyl)-1,3-thiazole
CID 76551954
4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole
CID 91538393
1,3-thiazol-4-ylmethylhydrazine;dihydrochloride
CID 133057420
6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine
CID 78911837
4-methyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,2,4-triazol-3-amine
CID 61468339
4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 163560062
3-fluoro-4-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 43303709
4-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 79142963
2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 79147482
3-fluoro-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115732906
4-heptyl-1,3-thiazole;octane
CID 91422595

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-ylmethylsulfanylmethanamine?
The IUPAC name of 1,3-thiazol-4-ylmethylsulfanylmethanamine (CID 130369230) is 1,3-thiazol-4-ylmethylsulfanylmethanamine.
What is the SMILES notation for 1,3-thiazol-4-ylmethylsulfanylmethanamine?
The canonical SMILES for 1,3-thiazol-4-ylmethylsulfanylmethanamine is NCSCc1cscn1.
What is the InChIKey of 1,3-thiazol-4-ylmethylsulfanylmethanamine?
The InChIKey is UZVPSELLDUBRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c6-3-8-1-5-2-9-4-7-5/h2,4H,1,3,6H2.
What are the key properties of 1,3-thiazol-4-ylmethylsulfanylmethanamine?
1,3-thiazol-4-ylmethylsulfanylmethanamine has a molecular weight of 160.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-ylmethylsulfanylmethanamine is sourced from PubChem (CID 130369230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).