1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine

C6H10N2S2 — CID 64628516

IUPAC1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
SMILESCC(N)CSc1nccs1
InChIInChI=1S/C6H10N2S2/c1-5(7)4-10-6-8-2-3-9-6/h2-3,5H,4,7H2,1H3
InChIKeyGGDXYVBRXCUABV-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.58
Rot. Bonds3

About 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine

1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine (PubChem CID 64628516) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
PubChem CID64628516
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
SMILESCC(N)CSc1nccs1
InChIInChI=1S/C6H10N2S2/c1-5(7)4-10-6-8-2-3-9-6/h2-3,5H,4,7H2,1H3
InChIKeyGGDXYVBRXCUABV-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64626293
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626494
N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626697
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626307
2-(2-bromo-3,3,3-trifluoropropyl)sulfanyl-1,3-thiazole
CID 64758728
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine
CID 62580844
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
1-(1-benzofuran-2-yl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64626110
2-(propan-2-ylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanamide
CID 63034358
N-[1-(4-propan-2-ylphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 64626706
methyl 2-amino-4-(1,3-thiazol-2-ylsulfanyl)butanoate
CID 63034527

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine (CID 64628516) is 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine is CC(N)CSc1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine?
The InChIKey is GGDXYVBRXCUABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-5(7)4-10-6-8-2-3-9-6/h2-3,5H,4,7H2,1H3.
What are the key properties of 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine?
1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine has a molecular weight of 174.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 64628516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).