[2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine

C14H14N4OS — CID 62699662

IUPAC[2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccco2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C14H14N4OS/c15-18-13-11-8-4-1-2-6-10(8)20-14(11)17-12(16-13)9-5-3-7-19-9/h3,5,7H,1-2,4,6,15H2,(H,16,17,18)
InChIKeyUETKZBOLBXHOEB-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.12
Rot. Bonds2

About [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine

[2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 62699662) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID62699662
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name[2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccco2)nc2sc3c(c12)CCCC3
InChIInChI=1S/C14H14N4OS/c15-18-13-11-8-4-1-2-6-10(8)20-14(11)17-12(16-13)9-5-3-7-19-9/h3,5,7H,1-2,4,6,15H2,(H,16,17,18)
InChIKeyUETKZBOLBXHOEB-UHFFFAOYSA-N
XLogP3.12
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine with MolForge

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Related Compounds

10-(furan-2-yl)-N-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 63486599
[10-(3-methylfuran-2-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
CID 104806953
[2-(furan-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62699844
(10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
CID 62250836
N-methyl-2-(3-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 104806548
4-(furan-2-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 773036
(5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-yl)hydrazine
CID 16656117
(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
CID 789820
(2-benzylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)hydrazine
CID 3750738
2-[[4-amino-6-(furan-2-yl)-1,3,5-triazin-2-yl]sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 8002954
(2-cyclopentyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)hydrazine
CID 62251771
cyclohexyl-[4-[2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42799469

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine (CID 62699662) is [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccco2)nc2sc3c(c12)CCCC3.
What is the InChIKey of [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is UETKZBOLBXHOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-18-13-11-8-4-1-2-6-10(8)20-14(11)17-12(16-13)9-5-3-7-19-9/h3,5,7H,1-2,4,6,15H2,(H,16,17,18).
What are the key properties of [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 286.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62699662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).