N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide

C13H18N4O2S2 — CID 62152436

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cn1
InChIInChI=1S/C13H18N4O2S2/c1-4-7-14-12-6-5-11(8-15-12)21(18,19)17-13-16-9(2)10(3)20-13/h5-6,8H,4,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyWYJNRALBCBGOFV-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.78
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 62152436) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide
PubChem CID62152436
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cn1
InChIInChI=1S/C13H18N4O2S2/c1-4-7-14-12-6-5-11(8-15-12)21(18,19)17-13-16-9(2)10(3)20-13/h5-6,8H,4,7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyWYJNRALBCBGOFV-UHFFFAOYSA-N
XLogP2.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914131
6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354410
6-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62147379
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210
N-(4-methyl-3-pyridinyl)-6-(propylamino)pyridine-3-sulfonamide
CID 63328166
6-(propylamino)-N-(1H-pyrazol-4-yl)pyridine-3-sulfonamide
CID 62147845
N-(2-iodophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143908
6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787796
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158645
N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 80743899
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
N-(5-bromo-1,3-thiazol-2-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62147032

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide (CID 62152436) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)cn1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is WYJNRALBCBGOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-4-7-14-12-6-5-11(8-15-12)21(18,19)17-13-16-9(2)10(3)20-13/h5-6,8H,4,7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62152436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).