2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine

C6H10ClN3S — CID 131227043

IUPAC2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine
SMILESCC(Cl)CNCc1cnsn1
InChIInChI=1S/C6H10ClN3S/c1-5(7)2-8-3-6-4-9-11-10-6/h4-5,8H,2-3H2,1H3
InChIKeyIHLVMTZUMJSCLY-UHFFFAOYSA-N
MW191.69 g/mol
LogP1.25
Rot. Bonds4

About 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine

2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine (PubChem CID 131227043) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine
PubChem CID131227043
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC Name2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine
SMILESCC(Cl)CNCc1cnsn1
InChIInChI=1S/C6H10ClN3S/c1-5(7)2-8-3-6-4-9-11-10-6/h4-5,8H,2-3H2,1H3
InChIKeyIHLVMTZUMJSCLY-UHFFFAOYSA-N
XLogP1.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine?
The IUPAC name of 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine (CID 131227043) is 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine is CC(Cl)CNCc1cnsn1.
What is the InChIKey of 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine?
The InChIKey is IHLVMTZUMJSCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3S/c1-5(7)2-8-3-6-4-9-11-10-6/h4-5,8H,2-3H2,1H3.
What are the key properties of 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine?
2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine has a molecular weight of 191.69 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,5-thiadiazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 131227043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).