N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide

C12H16N4O2S2 — CID 62152788

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C12H16N4O2S2/c1-4-13-11-10(6-5-7-14-11)20(17,18)16-12-15-8(2)9(3)19-12/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyGSVJBMXRTBIYDY-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.39
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62152788) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide
PubChem CID62152788
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C12H16N4O2S2/c1-4-13-11-10(6-5-7-14-11)20(17,18)16-12-15-8(2)9(3)19-12/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyGSVJBMXRTBIYDY-UHFFFAOYSA-N
XLogP2.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043589
2-(ethylamino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-sulfonamide
CID 107642968
N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62162278
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-carboxamide
CID 62178330
2-(ethylamino)-N-pyridin-4-ylpyridine-3-sulfonamide
CID 62143000
3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 103305618
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305616
2-(ethylamino)-N-(1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389289
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-hydrazinylpyridine-2-sulfonamide
CID 103301102
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62164065
3-chloro-2-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 75420865
N-(2,2-dimethylpropyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62147776

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide (CID 62152788) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is GSVJBMXRTBIYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-4-13-11-10(6-5-7-14-11)20(17,18)16-12-15-8(2)9(3)19-12/h5-7H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62152788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).