2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

C10H18ClN3O3S2 — CID 62844893

IUPAC2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H18ClN3O3S2/c1-8-9(18-10(11)13-8)19(15,16)12-4-5-14(2)6-7-17-3/h12H,4-7H2,1-3H3
InChIKeyKAVUVVVRNRVUSP-UHFFFAOYSA-N
MW327.86 g/mol
LogP0.96
Rot. Bonds8

About 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 62844893) has the molecular formula C10H18ClN3O3S2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID62844893
Molecular FormulaC10H18ClN3O3S2
Molecular Weight327.86 g/mol
Exact Mass327.05
IUPAC Name2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1sc(Cl)nc1C
InChIInChI=1S/C10H18ClN3O3S2/c1-8-9(18-10(11)13-8)19(15,16)12-4-5-14(2)6-7-17-3/h12H,4-7H2,1-3H3
InChIKeyKAVUVVVRNRVUSP-UHFFFAOYSA-N
XLogP0.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 62844893) is 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is COCCN(C)CCNS(=O)(=O)c1sc(Cl)nc1C.
What is the InChIKey of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is KAVUVVVRNRVUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O3S2/c1-8-9(18-10(11)13-8)19(15,16)12-4-5-14(2)6-7-17-3/h12H,4-7H2,1-3H3.
What are the key properties of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 327.86 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 62844893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).