N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide

C13H18N4O2S2 — CID 62147992

IUPACN-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)Cc2cscn2)cn1
InChIInChI=1S/C13H18N4O2S2/c1-3-6-14-13-5-4-12(7-15-13)21(18,19)17(2)8-11-9-20-10-16-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyUPIPRHXFXNNILP-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.18
Rot. Bonds7

About N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide

N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 62147992) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID62147992
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC NameN-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)Cc2cscn2)cn1
InChIInChI=1S/C13H18N4O2S2/c1-3-6-14-13-5-4-12(7-15-13)21(18,19)17(2)8-11-9-20-10-16-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,14,15)
InChIKeyUPIPRHXFXNNILP-UHFFFAOYSA-N
XLogP2.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide (CID 62147992) is N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)N(C)Cc2cscn2)cn1.
What is the InChIKey of N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is UPIPRHXFXNNILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-3-6-14-13-5-4-12(7-15-13)21(18,19)17(2)8-11-9-20-10-16-11/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide?
N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 326.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62147992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).