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

C12H22ClN3O2S2 — CID 43455879

IUPAC2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H22ClN3O2S2/c1-4-16(5-2)8-6-7-10(3)15-20(17,18)11-9-14-12(13)19-11/h9-10,15H,4-8H2,1-3H3
InChIKeyREONCWCEJBUVKA-UHFFFAOYSA-N
MW339.91 g/mol
LogP2.59
Rot. Bonds9

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

2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 43455879) has the molecular formula C12H22ClN3O2S2 and a molecular weight of 339.91 g/mol. Its IUPAC name is 2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide
PubChem CID43455879
Molecular FormulaC12H22ClN3O2S2
Molecular Weight339.91 g/mol
Exact Mass339.08
IUPAC Name2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C12H22ClN3O2S2/c1-4-16(5-2)8-6-7-10(3)15-20(17,18)11-9-14-12(13)19-11/h9-10,15H,4-8H2,1-3H3
InChIKeyREONCWCEJBUVKA-UHFFFAOYSA-N
XLogP2.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide (CID 43455879) is 2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide is CCN(CC)CCCC(C)NS(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide?
The InChIKey is REONCWCEJBUVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O2S2/c1-4-16(5-2)8-6-7-10(3)15-20(17,18)11-9-14-12(13)19-11/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 339.91 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(diethylamino)pentan-2-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).