[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine

C16H11ClN4S2 — CID 138857572

IUPAC[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Cl)cc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C16H11ClN4S2/c17-10-5-3-9(4-6-10)14-19-15(21-18)13-11(8-23-16(13)20-14)12-2-1-7-22-12/h1-8H,18H2,(H,19,20,21)
InChIKeyRFTYJHARNSXPKZ-UHFFFAOYSA-N
MW358.88 g/mol
LogP5.03
Rot. Bonds3

About [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine

[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 138857572) has the molecular formula C16H11ClN4S2 and a molecular weight of 358.88 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID138857572
Molecular FormulaC16H11ClN4S2
Molecular Weight358.88 g/mol
Exact Mass358.01
IUPAC Name[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(-c2ccc(Cl)cc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C16H11ClN4S2/c17-10-5-3-9(4-6-10)14-19-15(21-18)13-11(8-23-16(13)20-14)12-2-1-7-22-12/h1-8H,18H2,(H,19,20,21)
InChIKeyRFTYJHARNSXPKZ-UHFFFAOYSA-N
XLogP5.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.88
LogP ≤ 55.03
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

2-(4-chlorophenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868588
[2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62245466
3-[[2-(4-methoxyphenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpyrrole-2,5-dione
CID 69402903
1-[[2-(4-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-3-methylpyrrole-2,5-dione
CID 24898492
4-chloro-2-(3-fluorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 142690098
3-methyl-1-[(2-pyridin-4-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 71166713
3-methyl-4-[(5-thiophen-2-yl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 69403733
4-chloro-2-[4-(2-piperidin-1-ylethoxy)phenyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 142690091
2-[(Z)-1-chloro-2-(4-chlorophenyl)ethenyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 6218468
(10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
CID 62250836
4-piperazin-1-yl-2,5-dithiophen-2-ylthieno[2,3-d]pyrimidine;hydrochloride
CID 118721288
3-methyl-4-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrole-2,5-dione
CID 69405034

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 138857572) is [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine is NNc1nc(-c2ccc(Cl)cc2)nc2scc(-c3cccs3)c12.
What is the InChIKey of [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is RFTYJHARNSXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4S2/c17-10-5-3-9(4-6-10)14-19-15(21-18)13-11(8-23-16(13)20-14)12-2-1-7-22-12/h1-8H,18H2,(H,19,20,21).
What are the key properties of [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 358.88 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 138857572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).