N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C18H19N3O2S2 — CID 25012898

IUPACN-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCCCc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccn1
InChIInChI=1S/C18H19N3O2S2/c1-3-4-16-11-14(9-10-19-16)18-20-17(12-24-18)13-5-7-15(8-6-13)21-25(2,22)23/h5-12,21H,3-4H2,1-2H3
InChIKeyOWAXXHRQPWGNTG-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.20
Rot. Bonds6

About N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 25012898) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID25012898
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCCCc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccn1
InChIInChI=1S/C18H19N3O2S2/c1-3-4-16-11-14(9-10-19-16)18-20-17(12-24-18)13-5-7-15(8-6-13)21-25(2,22)23/h5-12,21H,3-4H2,1-2H3
InChIKeyOWAXXHRQPWGNTG-UHFFFAOYSA-N
XLogP4.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 25012898) is N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CCCc1cc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)ccn1.
What is the InChIKey of N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is OWAXXHRQPWGNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-3-4-16-11-14(9-10-19-16)18-20-17(12-24-18)13-5-7-15(8-6-13)21-25(2,22)23/h5-12,21H,3-4H2,1-2H3.
What are the key properties of N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 25012898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).