(4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine

C7H9N5S2 — CID 3043318

IUPAC(4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine
SMILESCSc1ncnc2c1N=C(NN)CS2
InChIInChI=1S/C7H9N5S2/c1-13-6-5-7(10-3-9-6)14-2-4(11-5)12-8/h3H,2,8H2,1H3,(H,11,12)
InChIKeyDPFUWPYORQJUIY-UHFFFAOYSA-N
MW227.32 g/mol
LogP0.80
Rot. Bonds1

About (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine

(4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine (PubChem CID 3043318) has the molecular formula C7H9N5S2 and a molecular weight of 227.32 g/mol. Its IUPAC name is (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine.

Molecular Properties

Compound Name(4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine
PubChem CID3043318
Molecular FormulaC7H9N5S2
Molecular Weight227.32 g/mol
Exact Mass227.03
IUPAC Name(4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine
SMILESCSc1ncnc2c1N=C(NN)CS2
InChIInChI=1S/C7H9N5S2/c1-13-6-5-7(10-3-9-6)14-2-4(11-5)12-8/h3H,2,8H2,1H3,(H,11,12)
InChIKeyDPFUWPYORQJUIY-UHFFFAOYSA-N
XLogP0.80
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
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

7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-(dimethylamino)-
CID 3043316
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylthio-
CID 216614
7H-Pyrimido(4,5-b)(1,4)thiazine, 4,6-diamino-
CID 3043314
7H-Pyrimido(4,5-b)(1,4)thiazine, 6-amino-4-methylamino-
CID 3043315
7H-Pyrimido(4,5-b)(1,4)thiazine, 2-amino-6-hydrazino-4-methyl-
CID 3043317
4H-Pyrimido(4,5-b)(1,4)thiazine-4,6(7H)-dione, 1,5-dihydro-, dihydrazone
CID 3043319
7H-Pyrimido(4,5-b)(1,4)thiazine, 2,4,6-triamino-
CID 3049965
6-(Methylsulfanyl)pyrimidine-4,5-diamine
CID 248028
5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
CID 266464
4,6-Bis(methylthio)-5-aminopyrimidine
CID 238733
5-Amino-4-dimethylamino-6-methylthiopyrimidine
CID 12188120
N-ethyl-6-ethylsulfanyl-5-isocyanopyrimidin-4-amine
CID 57808589

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine?
The IUPAC name of (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine (CID 3043318) is (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine.
What is the SMILES notation for (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine?
The canonical SMILES for (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine is CSc1ncnc2c1N=C(NN)CS2.
What is the InChIKey of (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine?
The InChIKey is DPFUWPYORQJUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2/c1-13-6-5-7(10-3-9-6)14-2-4(11-5)12-8/h3H,2,8H2,1H3,(H,11,12).
What are the key properties of (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine?
(4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine has a molecular weight of 227.32 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-yl)hydrazine is sourced from PubChem (CID 3043318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).