2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide

C10H18ClN3O2S2 — CID 43455803

IUPAC2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H18ClN3O2S2/c1-3-14(4-2)7-5-6-13-18(15,16)9-8-12-10(11)17-9/h8,13H,3-7H2,1-2H3
InChIKeyXPVISUFFMIAERN-UHFFFAOYSA-N
MW311.86 g/mol
LogP1.81
Rot. Bonds8

About 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43455803) has the molecular formula C10H18ClN3O2S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide
PubChem CID43455803
Molecular FormulaC10H18ClN3O2S2
Molecular Weight311.86 g/mol
Exact Mass311.05
IUPAC Name2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C10H18ClN3O2S2/c1-3-14(4-2)7-5-6-13-18(15,16)9-8-12-10(11)17-9/h8,13H,3-7H2,1-2H3
InChIKeyXPVISUFFMIAERN-UHFFFAOYSA-N
XLogP1.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide (CID 43455803) is 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide is CCN(CC)CCCNS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is XPVISUFFMIAERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S2/c1-3-14(4-2)7-5-6-13-18(15,16)9-8-12-10(11)17-9/h8,13H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 311.86 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(diethylamino)propyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).