[(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine

C12H16N4OS — CID 931171

IUPAC[(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine
SMILESCC(C)[C@@H]1Cc2c(sc3ncnc(NN)c23)CO1
InChIInChI=1S/C12H16N4OS/c1-6(2)8-3-7-9(4-17-8)18-12-10(7)11(16-13)14-5-15-12/h5-6,8H,3-4,13H2,1-2H3,(H,14,15,16)/t8-/m0/s1
InChIKeyRRELJWKCAHWREU-QMMMGPOBSA-N
MW264.35 g/mol
LogP2.07
Rot. Bonds2

About [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine

[(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine (PubChem CID 931171) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine.

Molecular Properties

Compound Name[(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine
PubChem CID931171
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name[(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine
SMILESCC(C)[C@@H]1Cc2c(sc3ncnc(NN)c23)CO1
InChIInChI=1S/C12H16N4OS/c1-6(2)8-3-7-9(4-17-8)18-12-10(7)11(16-13)14-5-15-12/h5-6,8H,3-4,13H2,1-2H3,(H,14,15,16)/t8-/m0/s1
InChIKeyRRELJWKCAHWREU-QMMMGPOBSA-N
XLogP2.07
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.07
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 [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine with MolForge

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Related Compounds

(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 951296
(12R)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 951295
[(5S)-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
CID 921997
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
(7S)-N-[(1R)-1-(furan-2-yl)ethyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 9031341
4-N-(4-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 123680795
N-(2-methylpropyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 4689752
(14R)-5-(3-methylbutylsulfanyl)-7-methylsulfanyl-14-propan-2-yl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 1384451
N-(1-adamantyl)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 3815034
1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)propan-2-ol
CID 2926596
7-methyl-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 4574199
5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(2-phenylethyl)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 4258011

Frequently Asked Questions

What is the IUPAC name of [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine?
The IUPAC name of [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine (CID 931171) is [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine.
What is the SMILES notation for [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine?
The canonical SMILES for [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine is CC(C)[C@@H]1Cc2c(sc3ncnc(NN)c23)CO1.
What is the InChIKey of [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine?
The InChIKey is RRELJWKCAHWREU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-6(2)8-3-7-9(4-17-8)18-12-10(7)11(16-13)14-5-15-12/h5-6,8H,3-4,13H2,1-2H3,(H,14,15,16)/t8-/m0/s1.
What are the key properties of [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine?
[(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine has a molecular weight of 264.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(12S)-12-propan-2-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl]hydrazine is sourced from PubChem (CID 931171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).