4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile

C16H13N5S — CID 6218625

IUPAC4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile
SMILESCc1sc2ncnc(N/N=C\c3ccc(C#N)cc3)c2c1C
InChIInChI=1S/C16H13N5S/c1-10-11(2)22-16-14(10)15(18-9-19-16)21-20-8-13-5-3-12(7-17)4-6-13/h3-6,8-9H,1-2H3,(H,18,19,21)/b20-8-
InChIKeyPVMMJTPZAZVASV-ZBKNUEDVSA-N
MW307.38 g/mol
LogP3.63
Rot. Bonds3

About 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile

4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile (PubChem CID 6218625) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile
PubChem CID6218625
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC Name4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile
SMILESCc1sc2ncnc(N/N=C\c3ccc(C#N)cc3)c2c1C
InChIInChI=1S/C16H13N5S/c1-10-11(2)22-16-14(10)15(18-9-19-16)21-20-8-13-5-3-12(7-17)4-6-13/h3-6,8-9H,1-2H3,(H,18,19,21)/b20-8-
InChIKeyPVMMJTPZAZVASV-ZBKNUEDVSA-N
XLogP3.63
TPSA73.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4848657
N-[4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 6272660
methyl 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 6292670
4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7452229
N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 3124056
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 6218691
2-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 3785592
1-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135532991
5,6-dimethyl-N-(pentan-3-ylideneamino)thieno[2,3-d]pyrimidin-4-amine
CID 9409217
4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 6218436
4-[(E)-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile
CID 42992158
4-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135702223

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile?
The IUPAC name of 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile (CID 6218625) is 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile?
The canonical SMILES for 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile is Cc1sc2ncnc(N/N=C\c3ccc(C#N)cc3)c2c1C.
What is the InChIKey of 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile?
The InChIKey is PVMMJTPZAZVASV-ZBKNUEDVSA-N. The full InChI is InChI=1S/C16H13N5S/c1-10-11(2)22-16-14(10)15(18-9-19-16)21-20-8-13-5-3-12(7-17)4-6-13/h3-6,8-9H,1-2H3,(H,18,19,21)/b20-8-.
What are the key properties of 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile?
4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile has a molecular weight of 307.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile is sourced from PubChem (CID 6218625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).