3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide

C12H16N4O2S2 — CID 103305035

IUPAC3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C12H16N4O2S2/c1-3-13-11-5-4-6-14-12(11)20(17,18)16(2)7-10-8-19-9-15-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyRFEGYEHWVYQFNS-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.79
Rot. Bonds6

About 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide

3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide (PubChem CID 103305035) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide
PubChem CID103305035
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)N(C)Cc1cscn1
InChIInChI=1S/C12H16N4O2S2/c1-3-13-11-5-4-6-14-12(11)20(17,18)16(2)7-10-8-19-9-15-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKeyRFEGYEHWVYQFNS-UHFFFAOYSA-N
XLogP1.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306092
N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
CID 103303046
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-4-sulfonamide
CID 62148150
N-methyl-4-(propylamino)-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 62145861
N-ethyl-3-(ethylamino)-N-propylpyridine-2-sulfonamide
CID 103304413
N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336
N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide
CID 62147992
3-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743483
3-(ethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-sulfonamide
CID 103303867
4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 47076190
3-(ethylamino)-N-(1-thiophen-3-ylethyl)pyridine-2-sulfonamide
CID 103305812
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide (CID 103305035) is 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)N(C)Cc1cscn1.
What is the InChIKey of 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is RFEGYEHWVYQFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-3-13-11-5-4-6-14-12(11)20(17,18)16(2)7-10-8-19-9-15-10/h4-6,8-9,13H,3,7H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide?
3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103305035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).