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

C13H18N4O2S2 — CID 62158645

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCc2nc(C)cs2)cn1
InChIInChI=1S/C13H18N4O2S2/c1-3-6-14-12-5-4-11(7-15-12)21(18,19)16-8-13-17-10(2)9-20-13/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyUMWJTMWTTLFGCE-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.15
Rot. Bonds7

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 62158645) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
PubChem CID62158645
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCc2nc(C)cs2)cn1
InChIInChI=1S/C13H18N4O2S2/c1-3-6-14-12-5-4-11(7-15-12)21(18,19)16-8-13-17-10(2)9-20-13/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyUMWJTMWTTLFGCE-UHFFFAOYSA-N
XLogP2.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 63245102
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 106383315
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158845
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62152436
6-amino-5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601874
6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354410
2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375019
2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044195
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80807385
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide (CID 62158645) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NCc2nc(C)cs2)cn1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is UMWJTMWTTLFGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-3-6-14-12-5-4-11(7-15-12)21(18,19)16-8-13-17-10(2)9-20-13/h4-5,7,9,16H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62158645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).