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

C11H16N6S — CID 6546804

IUPAC[(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
SMILESC[C@@H]1CCCc2sc3nc(NN)nc(NN)c3c21
InChIInChI=1S/C11H16N6S/c1-5-3-2-4-6-7(5)8-9(16-12)14-11(17-13)15-10(8)18-6/h5H,2-4,12-13H2,1H3,(H2,14,15,16,17)/t5-/m1/s1
InChIKeyRUVAHWXZPPLCMI-RXMQYKEDSA-N
MW264.36 g/mol
LogP1.70
Rot. Bonds2

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

[(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 6546804) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is [(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID6546804
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name[(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
SMILESC[C@@H]1CCCc2sc3nc(NN)nc(NN)c3c21
InChIInChI=1S/C11H16N6S/c1-5-3-2-4-6-7(5)8-9(16-12)14-11(17-13)15-10(8)18-6/h5H,2-4,12-13H2,1H3,(H2,14,15,16,17)/t5-/m1/s1
InChIKeyRUVAHWXZPPLCMI-RXMQYKEDSA-N
XLogP1.70
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(5S)-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine
CID 921997
(2S)-2-[[(5R)-2,5-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propanoate
CID 7174325
(2S)-2-[[(5R)-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propanoate
CID 7174345
(15R)-N-cyclohexyl-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
CID 2000500
[10-(2-methylcyclopropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
CID 65421530
(12-ethyl-3-hydrazinyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)hydrazine
CID 4309503
2-[[(15S)-15-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl]amino]ethanol
CID 7734917
3-amino-5-methyl-2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 25021008
(2R)-2-[[(5R)-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 7174350
(10-cyclopropyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
CID 62252703
(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
5,15-dimethyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 146170625

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine (CID 6546804) is [(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine is C[C@@H]1CCCc2sc3nc(NN)nc(NN)c3c21.
What is the InChIKey of [(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is RUVAHWXZPPLCMI-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H16N6S/c1-5-3-2-4-6-7(5)8-9(16-12)14-11(17-13)15-10(8)18-6/h5H,2-4,12-13H2,1H3,(H2,14,15,16,17)/t5-/m1/s1.
What are the key properties of [(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine?
[(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 264.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-hydrazinyl-5-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 6546804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).