[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone

C20H20N4OS2 — CID 20635285

IUPAC[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCC1
InChIInChI=1S/C20H20N4OS2/c1-14-7-8-15(12-16(14)19(25)24-10-4-5-11-24)26-18-13-22-20(27-18)23-17-6-2-3-9-21-17/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,21,22,23)
InChIKeyLLRNFHQHYDUCNO-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.98
Rot. Bonds5

About [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone

[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 20635285) has the molecular formula C20H20N4OS2 and a molecular weight of 396.54 g/mol. Its IUPAC name is [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID20635285
Molecular FormulaC20H20N4OS2
Molecular Weight396.54 g/mol
Exact Mass396.11
IUPAC Name[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCC1
InChIInChI=1S/C20H20N4OS2/c1-14-7-8-15(12-16(14)19(25)24-10-4-5-11-24)26-18-13-22-20(27-18)23-17-6-2-3-9-21-17/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,21,22,23)
InChIKeyLLRNFHQHYDUCNO-UHFFFAOYSA-N
XLogP4.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone (CID 20635285) is [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone is Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCCC1.
What is the InChIKey of [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LLRNFHQHYDUCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS2/c1-14-7-8-15(12-16(14)19(25)24-10-4-5-11-24)26-18-13-22-20(27-18)23-17-6-2-3-9-21-17/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,21,22,23).
What are the key properties of [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone?
[2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 396.54 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 20635285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).