N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine

C10H13N3S3 — CID 115635490

IUPACN-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
SMILESc1csc(SCCCNCc2cscn2)n1
InChIInChI=1S/C10H13N3S3/c1(4-15-10-12-3-5-16-10)2-11-6-9-7-14-8-13-9/h3,5,7-8,11H,1-2,4,6H2
InChIKeyUJGGVLCLKHCISB-UHFFFAOYSA-N
MW271.44 g/mol
LogP2.87
Rot. Bonds7

About N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine

N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine (PubChem CID 115635490) has the molecular formula C10H13N3S3 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
PubChem CID115635490
Molecular FormulaC10H13N3S3
Molecular Weight271.44 g/mol
Exact Mass271.03
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
SMILESc1csc(SCCCNCc2cscn2)n1
InChIInChI=1S/C10H13N3S3/c1(4-15-10-12-3-5-16-10)2-11-6-9-7-14-8-13-9/h3,5,7-8,11H,1-2,4,6H2
InChIKeyUJGGVLCLKHCISB-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine (CID 115635490) is N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine is c1csc(SCCCNCc2cscn2)n1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is UJGGVLCLKHCISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S3/c1(4-15-10-12-3-5-16-10)2-11-6-9-7-14-8-13-9/h3,5,7-8,11H,1-2,4,6H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine?
N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 115635490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).