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

C11H14N4O2S2 — CID 62157082

IUPAC2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cccnc2N)cs1
InChIInChI=1S/C11H14N4O2S2/c1-8-14-9(7-18-8)6-15(2)19(16,17)10-4-3-5-13-11(10)12/h3-5,7H,6H2,1-2H3,(H2,12,13)
InChIKeyWHBGDLPXYIYVQQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.25
Rot. Bonds4

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

2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (PubChem CID 62157082) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
PubChem CID62157082
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
SMILESCc1nc(CN(C)S(=O)(=O)c2cccnc2N)cs1
InChIInChI=1S/C11H14N4O2S2/c1-8-14-9(7-18-8)6-15(2)19(16,17)10-4-3-5-13-11(10)12/h3-5,7H,6H2,1-2H3,(H2,12,13)
InChIKeyWHBGDLPXYIYVQQ-UHFFFAOYSA-N
XLogP1.25
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105358783
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 47454541
2-amino-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 62146162
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517173
4-bromo-2-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 116528525
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-sulfonamide
CID 79381363
4-(aminomethyl)-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 107091430
2-[(2-amino-3-pyridinyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 65427602
2-amino-N-(cyclohexylmethyl)-N-methylpyridine-3-sulfonamide
CID 62151896
2-amino-3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenesulfonamide
CID 115992574
2-chloro-5-cyano-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 80698264
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide (CID 62157082) is 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is Cc1nc(CN(C)S(=O)(=O)c2cccnc2N)cs1.
What is the InChIKey of 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is WHBGDLPXYIYVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-8-14-9(7-18-8)6-15(2)19(16,17)10-4-3-5-13-11(10)12/h3-5,7H,6H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide?
2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62157082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).