3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide

C12H16N4O2S2 — CID 103305354

IUPAC3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide
SMILESCc1nc(C)c(C(C)NS(=O)(=O)c2ncccc2N)s1
InChIInChI=1S/C12H16N4O2S2/c1-7-11(19-9(3)15-7)8(2)16-20(17,18)12-10(13)5-4-6-14-12/h4-6,8,16H,13H2,1-3H3
InChIKeyJLTCQWSTMCURFB-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.78
Rot. Bonds4

About 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide

3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide (PubChem CID 103305354) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide
PubChem CID103305354
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide
SMILESCc1nc(C)c(C(C)NS(=O)(=O)c2ncccc2N)s1
InChIInChI=1S/C12H16N4O2S2/c1-7-11(19-9(3)15-7)8(2)16-20(17,18)12-10(13)5-4-6-14-12/h4-6,8,16H,13H2,1-3H3
InChIKeyJLTCQWSTMCURFB-UHFFFAOYSA-N
XLogP1.78
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-propan-2-ylpyridine-2-sulfonamide
CID 103303655
3-amino-N-(1-phenylethyl)pyridine-2-sulfonamide
CID 103303814
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzenesulfonamide
CID 61193213
3-amino-N-(4-methylpentan-2-yl)pyridine-2-sulfonamide
CID 103304535
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283511
3-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 103305618
2-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridin-3-amine
CID 63752258
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-2-sulfonamide
CID 103307784
3-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-sulfonamide
CID 103305478
3-amino-N-(3-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303464
4-amino-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]benzenesulfonamide
CID 82900229
3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
CID 106261994

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide (CID 103305354) is 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide is Cc1nc(C)c(C(C)NS(=O)(=O)c2ncccc2N)s1.
What is the InChIKey of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide?
The InChIKey is JLTCQWSTMCURFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-7-11(19-9(3)15-7)8(2)16-20(17,18)12-10(13)5-4-6-14-12/h4-6,8,16H,13H2,1-3H3.
What are the key properties of 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide?
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide has a molecular weight of 312.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103305354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).