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

C11H14N4O2S2 — CID 106049680

IUPAC2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccnc(N)c2)cs1
InChIInChI=1S/C11H14N4O2S2/c1-8-15-9(7-18-8)2-5-14-19(16,17)10-3-4-13-11(12)6-10/h3-4,6-7,14H,2,5H2,1H3,(H2,12,13)
InChIKeyBTFJFWZADFKXGC-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.95
Rot. Bonds5

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

2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide (PubChem CID 106049680) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
PubChem CID106049680
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide
SMILESCc1nc(CCNS(=O)(=O)c2ccnc(N)c2)cs1
InChIInChI=1S/C11H14N4O2S2/c1-8-15-9(7-18-8)2-5-14-19(16,17)10-3-4-13-11(12)6-10/h3-4,6-7,14H,2,5H2,1H3,(H2,12,13)
InChIKeyBTFJFWZADFKXGC-UHFFFAOYSA-N
XLogP0.95
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 51125777
4-cyano-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106832986
5,6-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 110301352
5-amino-2,3-dimethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034183
N-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoyl]phenyl]acetamide
CID 3243012
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106038822
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-chloro-4-methylbenzenesulfonamide
CID 110717932
3-amino-5-chloro-2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034093
5-amino-2-fluoro-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034297
N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106048432
5-amino-2-fluoro-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106034088

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide (CID 106049680) is 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide is Cc1nc(CCNS(=O)(=O)c2ccnc(N)c2)cs1.
What is the InChIKey of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide?
The InChIKey is BTFJFWZADFKXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-8-15-9(7-18-8)2-5-14-19(16,17)10-3-4-13-11(12)6-10/h3-4,6-7,14H,2,5H2,1H3,(H2,12,13).
What are the key properties of 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide?
2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 106049680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).