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

C13H14N4S3 — CID 62245466

IUPAC[2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCSCc1nc(NN)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C13H14N4S3/c1-2-18-7-10-15-12(17-14)11-8(6-20-13(11)16-10)9-4-3-5-19-9/h3-6H,2,7,14H2,1H3,(H,15,16,17)
InChIKeyXVESKLORAMXDBF-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.96
Rot. Bonds5

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

[2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine (PubChem CID 62245466) has the molecular formula C13H14N4S3 and a molecular weight of 322.48 g/mol. Its IUPAC name is [2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
PubChem CID62245466
Molecular FormulaC13H14N4S3
Molecular Weight322.48 g/mol
Exact Mass322.04
IUPAC Name[2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
SMILESCCSCc1nc(NN)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C13H14N4S3/c1-2-18-7-10-15-12(17-14)11-8(6-20-13(11)16-10)9-4-3-5-19-9/h3-6H,2,7,14H2,1H3,(H,15,16,17)
InChIKeyXVESKLORAMXDBF-UHFFFAOYSA-N
XLogP3.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.96
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

N-methyl-2-(propylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 63485868
4-chloro-2-(2-methylpropylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 63537714
2-(2-methoxyethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 62189302
[2-(4-chlorophenyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 138857572
N-(2-methoxyethyl)-2-(morpholin-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9196239
[2-(2-methoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62251386
2-(pyrazol-1-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 62209541
2-ethyl-5-thiophen-2-ylthieno[2,3-d][1,3]oxazin-4-one
CID 744713
4-[2-[(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 2548143
N-[(1S)-1-cyclopropylethyl]-2-(morpholin-4-ium-4-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 9031121
3-[[2-[(4-methoxyphenyl)methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]amino]-4-methylpyrrole-2,5-dione
CID 69405482
N-hexadecyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 4554048

Frequently Asked Questions

What is the IUPAC name of [2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine (CID 62245466) is [2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine is CCSCc1nc(NN)c2c(-c3cccs3)csc2n1.
What is the InChIKey of [2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
The InChIKey is XVESKLORAMXDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S3/c1-2-18-7-10-15-12(17-14)11-8(6-20-13(11)16-10)9-4-3-5-19-9/h3-6H,2,7,14H2,1H3,(H,15,16,17).
What are the key properties of [2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine?
[2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine has a molecular weight of 322.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylsulfanylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62245466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).