[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine

C14H14N4S2 — CID 103336615

IUPAC[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1cccc(CSc2nc(NN)nc3sccc23)c1
InChIInChI=1S/C14H14N4S2/c1-9-3-2-4-10(7-9)8-20-13-11-5-6-19-12(11)16-14(17-13)18-15/h2-7H,8,15H2,1H3,(H,16,17,18)
InChIKeyOBWJQKQNJOBBOC-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.58
Rot. Bonds4

About [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine

[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine (PubChem CID 103336615) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
PubChem CID103336615
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
SMILESCc1cccc(CSc2nc(NN)nc3sccc23)c1
InChIInChI=1S/C14H14N4S2/c1-9-3-2-4-10(7-9)8-20-13-11-5-6-19-12(11)16-14(17-13)18-15/h2-7H,8,15H2,1H3,(H,16,17,18)
InChIKeyOBWJQKQNJOBBOC-UHFFFAOYSA-N
XLogP3.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.58
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-[(3,5-dimethylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335268
(4-methylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336570
[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107766413
3-methyl-2-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 47096214
2-[(3-methylphenyl)methylsulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62766247
tert-butyl 2-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 103336695
(4-phenylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336515
[4-(2-methylfuran-3-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107785418
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103334616
[4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336586
2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 112774837
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine (CID 103336615) is [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine is Cc1cccc(CSc2nc(NN)nc3sccc23)c1.
What is the InChIKey of [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
The InChIKey is OBWJQKQNJOBBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-9-3-2-4-10(7-9)8-20-13-11-5-6-19-12(11)16-14(17-13)18-15/h2-7H,8,15H2,1H3,(H,16,17,18).
What are the key properties of [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine?
[4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine has a molecular weight of 302.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 103336615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).