2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine

C10H18N2S2 — CID 62580662

IUPAC2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine
SMILESCC(C)CNCC(C)Sc1nccs1
InChIInChI=1S/C10H18N2S2/c1-8(2)6-11-7-9(3)14-10-12-4-5-13-10/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyRNLYZJJHQSUOQI-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.87
Rot. Bonds6

About 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine

2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine (PubChem CID 62580662) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine
PubChem CID62580662
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine
SMILESCC(C)CNCC(C)Sc1nccs1
InChIInChI=1S/C10H18N2S2/c1-8(2)6-11-7-9(3)14-10-12-4-5-13-10/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyRNLYZJJHQSUOQI-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine (CID 62580662) is 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine is CC(C)CNCC(C)Sc1nccs1.
What is the InChIKey of 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine?
The InChIKey is RNLYZJJHQSUOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-8(2)6-11-7-9(3)14-10-12-4-5-13-10/h4-5,8-9,11H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine?
2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine is sourced from PubChem (CID 62580662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).