1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone

C19H20N4OS2 — CID 13392863

IUPAC1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone
SMILESCc1ccccc1N1CCN(C(=O)CSc2nc3cccnc3s2)CC1
InChIInChI=1S/C19H20N4OS2/c1-14-5-2-3-7-16(14)22-9-11-23(12-10-22)17(24)13-25-19-21-15-6-4-8-20-18(15)26-19/h2-8H,9-13H2,1H3
InChIKeyJWMYLERKVRTRLN-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone

1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone (PubChem CID 13392863) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone
PubChem CID13392863
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone
SMILESCc1ccccc1N1CCN(C(=O)CSc2nc3cccnc3s2)CC1
InChIInChI=1S/C19H20N4OS2/c1-14-5-2-3-7-16(14)22-9-11-23(12-10-22)17(24)13-25-19-21-15-6-4-8-20-18(15)26-19/h2-8H,9-13H2,1H3
InChIKeyJWMYLERKVRTRLN-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone with MolForge

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9152988
1-[4-(2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 112766306
2-(3,4-difluorophenyl)sulfanyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 56535635
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 1284776
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 121060359
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112814507
2-tert-butylsulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766349
N-(2,3-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide
CID 53084514
N-(2,6-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide
CID 53084515
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 46557397
3-(4-chlorophenyl)sulfanyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
CID 56535604

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone?
The IUPAC name of 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone (CID 13392863) is 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone is Cc1ccccc1N1CCN(C(=O)CSc2nc3cccnc3s2)CC1.
What is the InChIKey of 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone?
The InChIKey is JWMYLERKVRTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-14-5-2-3-7-16(14)22-9-11-23(12-10-22)17(24)13-25-19-21-15-6-4-8-20-18(15)26-19/h2-8H,9-13H2,1H3.
What are the key properties of 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone?
1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone has a molecular weight of 384.53 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)piperazin-1-yl]-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone is sourced from PubChem (CID 13392863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).