N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine

C7H12ClN3S — CID 83156277

IUPACN'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1nc(Cl)cs1
InChIInChI=1S/C7H12ClN3S/c1-2-9-3-4-10-7-11-6(8)5-12-7/h5,9H,2-4H2,1H3,(H,10,11)
InChIKeyFOFYRSMDMRSQAB-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.82
Rot. Bonds5

About N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine

N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine (PubChem CID 83156277) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine
PubChem CID83156277
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC NameN'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine
SMILESCCNCCNc1nc(Cl)cs1
InChIInChI=1S/C7H12ClN3S/c1-2-9-3-4-10-7-11-6(8)5-12-7/h5,9H,2-4H2,1H3,(H,10,11)
InChIKeyFOFYRSMDMRSQAB-UHFFFAOYSA-N
XLogP1.82
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.82
H-Bond Donors ≤ 52
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 N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine (CID 83156277) is N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine is CCNCCNc1nc(Cl)cs1.
What is the InChIKey of N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine?
The InChIKey is FOFYRSMDMRSQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3S/c1-2-9-3-4-10-7-11-6(8)5-12-7/h5,9H,2-4H2,1H3,(H,10,11).
What are the key properties of N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine?
N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine has a molecular weight of 205.71 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-1,3-thiazol-2-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 83156277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).