2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride

C15H19ClN2O3S2 — CID 22683688

IUPAC2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(-c2ccc(OCCCN(C)C)cc2)sc1S(=O)(=O)Cl
InChIInChI=1S/C15H19ClN2O3S2/c1-11-15(23(16,19)20)22-14(17-11)12-5-7-13(8-6-12)21-10-4-9-18(2)3/h5-8H,4,9-10H2,1-3H3
InChIKeyLCNDNHYYGMPYER-UHFFFAOYSA-N
MW374.92 g/mol
LogP3.38
Rot. Bonds7

About 2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride

2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 22683688) has the molecular formula C15H19ClN2O3S2 and a molecular weight of 374.92 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID22683688
Molecular FormulaC15H19ClN2O3S2
Molecular Weight374.92 g/mol
Exact Mass374.05
IUPAC Name2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(-c2ccc(OCCCN(C)C)cc2)sc1S(=O)(=O)Cl
InChIInChI=1S/C15H19ClN2O3S2/c1-11-15(23(16,19)20)22-14(17-11)12-5-7-13(8-6-12)21-10-4-9-18(2)3/h5-8H,4,9-10H2,1-3H3
InChIKeyLCNDNHYYGMPYER-UHFFFAOYSA-N
XLogP3.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.92
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 22683688) is 2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(-c2ccc(OCCCN(C)C)cc2)sc1S(=O)(=O)Cl.
What is the InChIKey of 2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is LCNDNHYYGMPYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S2/c1-11-15(23(16,19)20)22-14(17-11)12-5-7-13(8-6-12)21-10-4-9-18(2)3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 374.92 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)propoxy]phenyl]-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 22683688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).