4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine

C7H11ClN2S2 — CID 83153503

IUPAC4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine
SMILESCSCCCNc1nc(Cl)cs1
InChIInChI=1S/C7H11ClN2S2/c1-11-4-2-3-9-7-10-6(8)5-12-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyQMBABYYDWMMDGJ-UHFFFAOYSA-N
MW222.77 g/mol
LogP2.96
Rot. Bonds5

About 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine

4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine (PubChem CID 83153503) has the molecular formula C7H11ClN2S2 and a molecular weight of 222.77 g/mol. Its IUPAC name is 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine
PubChem CID83153503
Molecular FormulaC7H11ClN2S2
Molecular Weight222.77 g/mol
Exact Mass222.01
IUPAC Name4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine
SMILESCSCCCNc1nc(Cl)cs1
InChIInChI=1S/C7H11ClN2S2/c1-11-4-2-3-9-7-10-6(8)5-12-7/h5H,2-4H2,1H3,(H,9,10)
InChIKeyQMBABYYDWMMDGJ-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.77
LogP ≤ 52.96
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 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine (CID 83153503) is 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine is CSCCCNc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine?
The InChIKey is QMBABYYDWMMDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2S2/c1-11-4-2-3-9-7-10-6(8)5-12-7/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine?
4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine has a molecular weight of 222.77 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylsulfanylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83153503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).