3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine

C7H14N2S2 — CID 84662890

IUPAC3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
SMILESCC1CSC(SCCCN)=N1
InChIInChI=1S/C7H14N2S2/c1-6-5-11-7(9-6)10-4-2-3-8/h6H,2-5,8H2,1H3
InChIKeyZXTIPXYDYQJVLG-UHFFFAOYSA-N
MW190.34 g/mol
LogP1.56
Rot. Bonds3

About 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine

3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 84662890) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID84662890
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
SMILESCC1CSC(SCCCN)=N1
InChIInChI=1S/C7H14N2S2/c1-6-5-11-7(9-6)10-4-2-3-8/h6H,2-5,8H2,1H3
InChIKeyZXTIPXYDYQJVLG-UHFFFAOYSA-N
XLogP1.56
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine (CID 84662890) is 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine is CC1CSC(SCCCN)=N1.
What is the InChIKey of 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is ZXTIPXYDYQJVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c1-6-5-11-7(9-6)10-4-2-3-8/h6H,2-5,8H2,1H3.
What are the key properties of 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine?
3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 190.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 84662890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).