2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine

C14H15N5S2 — CID 103333485

IUPAC2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNNc1nc(NC2CCCc3sccc32)c2ccsc2n1
InChIInChI=1S/C14H15N5S2/c15-19-14-17-12(9-5-7-21-13(9)18-14)16-10-2-1-3-11-8(10)4-6-20-11/h4-7,10H,1-3,15H2,(H2,16,17,18,19)
InChIKeyGOIZEPNTSLPBCO-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.53
Rot. Bonds3

About 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine

2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103333485) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103333485
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC Name2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESNNc1nc(NC2CCCc3sccc32)c2ccsc2n1
InChIInChI=1S/C14H15N5S2/c15-19-14-17-12(9-5-7-21-13(9)18-14)16-10-2-1-3-11-8(10)4-6-20-11/h4-7,10H,1-3,15H2,(H2,16,17,18,19)
InChIKeyGOIZEPNTSLPBCO-UHFFFAOYSA-N
XLogP3.53
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

3,5-dichloro-6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridin-2-amine
CID 102761994
5-bromo-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824799
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol
CID 103334408
6-hydrazinyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80919316
5-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80824547
2-hydrazinyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103335505
2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 81007227
2-N-ethyl-5-fluoro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-2,4-diamine
CID 80823428
4-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)phthalazin-1-amine
CID 62843915
2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114118419
4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198866
6-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)isoquinoline-5,6-diamine
CID 106948032

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 103333485) is 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine is NNc1nc(NC2CCCc3sccc32)c2ccsc2n1.
What is the InChIKey of 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GOIZEPNTSLPBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S2/c15-19-14-17-12(9-5-7-21-13(9)18-14)16-10-2-1-3-11-8(10)4-6-20-11/h4-7,10H,1-3,15H2,(H2,16,17,18,19).
What are the key properties of 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103333485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).