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

C12H16N4O2S2 — CID 146105117

IUPAC6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1csc(C(C)NS(=O)(=O)c2cnc(N)c(C)c2)n1
InChIInChI=1S/C12H16N4O2S2/c1-7-4-10(5-14-11(7)13)20(17,18)16-9(3)12-15-8(2)6-19-12/h4-6,9,16H,1-3H3,(H2,13,14)
InChIKeyPALRTXLOBVMOSU-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.78
Rot. Bonds4

About 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide

6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 146105117) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID146105117
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCc1csc(C(C)NS(=O)(=O)c2cnc(N)c(C)c2)n1
InChIInChI=1S/C12H16N4O2S2/c1-7-4-10(5-14-11(7)13)20(17,18)16-9(3)12-15-8(2)6-19-12/h4-6,9,16H,1-3H3,(H2,13,14)
InChIKeyPALRTXLOBVMOSU-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

4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
2-Methyl-4-[5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]sulfonyl]thiophen-2-yl]-1,3-thiazole
CID 2795729
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
1,1,1-trifluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
CID 20647087
2-[5-(Diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole
CID 20647089
4-Pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole
CID 20647090
2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
CID 20647096
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]ethanesulfonamide
CID 20647122
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]thiophene-2-sulfonamide
CID 20647123
N-(5-methylpyridin-2-yl)thiophene-2-sulfonamide
CID 4089541
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 3239290
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 5310121

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 146105117) is 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is Cc1csc(C(C)NS(=O)(=O)c2cnc(N)c(C)c2)n1.
What is the InChIKey of 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is PALRTXLOBVMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-7-4-10(5-14-11(7)13)20(17,18)16-9(3)12-15-8(2)6-19-12/h4-6,9,16H,1-3H3,(H2,13,14).
What are the key properties of 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide?
6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-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 6-amino-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 146105117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).