[4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine

C13H10Cl2N4S2 — CID 103336532

IUPAC[4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1cc2c(Sc3cc(Cl)ccc3Cl)nc(NN)nc2s1
InChIInChI=1S/C13H10Cl2N4S2/c1-6-4-8-11(20-6)17-13(19-16)18-12(8)21-10-5-7(14)2-3-9(10)15/h2-5H,16H2,1H3,(H,17,18,19)
InChIKeyXWKJWWLXENKBQX-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.74
Rot. Bonds3

About [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336532) has the molecular formula C13H10Cl2N4S2 and a molecular weight of 357.29 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336532
Molecular FormulaC13H10Cl2N4S2
Molecular Weight357.29 g/mol
Exact Mass355.97
IUPAC Name[4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1cc2c(Sc3cc(Cl)ccc3Cl)nc(NN)nc2s1
InChIInChI=1S/C13H10Cl2N4S2/c1-6-4-8-11(20-6)17-13(19-16)18-12(8)21-10-5-7(14)2-3-9(10)15/h2-5H,16H2,1H3,(H,17,18,19)
InChIKeyXWKJWWLXENKBQX-UHFFFAOYSA-N
XLogP4.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.74
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'}

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Related Compounds

[4-(2,5-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336545
[4-(2,4-difluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336488
N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334287
[6-methyl-4-(5-methylpyrimidin-2-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336591
[6-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336683
(6-methyl-4-pyrazin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336631
4-[(5-chloro-2-pyridinyl)sulfanyl]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103335086
[4-(4-chloro-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336203
N-ethyl-2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 114235252
[6-(2,5-dichlorophenyl)sulfanyl-3,5-difluoro-2-pyridinyl]hydrazine
CID 114073884
2-hydrazinyl-N,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 103335021
5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884261

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336532) is [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine is Cc1cc2c(Sc3cc(Cl)ccc3Cl)nc(NN)nc2s1.
What is the InChIKey of [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is XWKJWWLXENKBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4S2/c1-6-4-8-11(20-6)17-13(19-16)18-12(8)21-10-5-7(14)2-3-9(10)15/h2-5H,16H2,1H3,(H,17,18,19).
What are the key properties of [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 357.29 g/mol, XLogP of 4.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).