4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide

C17H18N4O3S2 — CID 1157296

IUPAC4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNc2ncnc3sc4c(c23)CCCC4)cc1
InChIInChI=1S/C17H18N4O3S2/c1-24-11-6-8-12(9-7-11)26(22,23)21-20-16-15-13-4-2-3-5-14(13)25-17(15)19-10-18-16/h6-10,21H,2-5H2,1H3,(H,18,19,20)
InChIKeyKOYLCFMIKZOWHV-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.88
Rot. Bonds5

About 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide

4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide (PubChem CID 1157296) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide
PubChem CID1157296
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide
SMILESCOc1ccc(S(=O)(=O)NNc2ncnc3sc4c(c23)CCCC4)cc1
InChIInChI=1S/C17H18N4O3S2/c1-24-11-6-8-12(9-7-11)26(22,23)21-20-16-15-13-4-2-3-5-14(13)25-17(15)19-10-18-16/h6-10,21H,2-5H2,1H3,(H,18,19,20)
InChIKeyKOYLCFMIKZOWHV-UHFFFAOYSA-N
XLogP2.88
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 9409429
1-(4-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thiourea
CID 10785411
N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635683
4-methoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 717679
1-butyl-3-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylurea
CID 21011549
methyl 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)acetate
CID 23824989
methyl 4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzoate;hydrochloride
CID 2791287
(7S)-N-(4-methoxyphenyl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 727499
N-[(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 3816268
1-pyridin-2-yl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)hydrazine
CID 46861687
N-(4-ethoxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 951473
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133344205

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide?
The IUPAC name of 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide (CID 1157296) is 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide.
What is the SMILES notation for 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide?
The canonical SMILES for 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide is COc1ccc(S(=O)(=O)NNc2ncnc3sc4c(c23)CCCC4)cc1.
What is the InChIKey of 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide?
The InChIKey is KOYLCFMIKZOWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-24-11-6-8-12(9-7-11)26(22,23)21-20-16-15-13-4-2-3-5-14(13)25-17(15)19-10-18-16/h6-10,21H,2-5H2,1H3,(H,18,19,20).
What are the key properties of 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide?
4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide has a molecular weight of 390.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzenesulfonohydrazide is sourced from PubChem (CID 1157296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).