3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide

C13H18N4O2S2 — CID 103306092

IUPAC3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)N(C)Cc1scnc1C
InChIInChI=1S/C13H18N4O2S2/c1-4-14-11-6-5-7-15-13(11)21(18,19)17(3)8-12-10(2)16-9-20-12/h5-7,9,14H,4,8H2,1-3H3
InChIKeyYZVOAOVJJHGONB-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.10
Rot. Bonds6

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

3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide (PubChem CID 103306092) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
PubChem CID103306092
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)N(C)Cc1scnc1C
InChIInChI=1S/C13H18N4O2S2/c1-4-14-11-6-5-7-15-13(11)21(18,19)17(3)8-12-10(2)16-9-20-12/h5-7,9,14H,4,8H2,1-3H3
InChIKeyYZVOAOVJJHGONB-UHFFFAOYSA-N
XLogP2.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide
CID 103306091
3-(ethylamino)-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-sulfonamide
CID 103305035
N-butyl-3-(ethylamino)-N-methylpyridine-2-sulfonamide
CID 103303046
2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 75356106
4-hydrazinyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63837844
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 55262102
3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 81258946
5-chloro-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55259471
N,N-dibutyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103304336
N-ethyl-3-(ethylamino)-N-propylpyridine-2-sulfonamide
CID 103304413
2-amino-N,3,6-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 103171520
3-amino-4-ethyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63843263

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide (CID 103306092) is 3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)N(C)Cc1scnc1C.
What is the InChIKey of 3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is YZVOAOVJJHGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-4-14-11-6-5-7-15-13(11)21(18,19)17(3)8-12-10(2)16-9-20-12/h5-7,9,14H,4,8H2,1-3H3.
What are the key properties of 3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide?
3-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.10, 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-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103306092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).