methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate

C10H10N4O2S — CID 134971768

IUPACmethyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cnccc1SC)N=[N+]=[N-]
InChIInChI=1S/C10H10N4O2S/c1-16-10(15)8(13-14-11)5-7-6-12-4-3-9(7)17-2/h3-6H,1-2H3/b8-5-
InChIKeyJJMQRHPGOFHDMR-YVMONPNESA-N
MW250.28 g/mol
LogP2.63
Rot. Bonds4

About methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate

methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate (PubChem CID 134971768) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate
PubChem CID134971768
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Namemethyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cnccc1SC)N=[N+]=[N-]
InChIInChI=1S/C10H10N4O2S/c1-16-10(15)8(13-14-11)5-7-6-12-4-3-9(7)17-2/h3-6H,1-2H3/b8-5-
InChIKeyJJMQRHPGOFHDMR-YVMONPNESA-N
XLogP2.63
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoic acid;2-methyl-4-methylsulfanylpyridine-3-carbaldehyde
CID 159242879
methyl 2-azido-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 54530667
methyl (Z)-2-azido-3-(2-chlorophenyl)prop-2-enoate
CID 71567268
methyl 2-azido-3-(2,4-dichloro-5-fluorophenyl)prop-2-enoate
CID 162386444
methyl 2-azido-3-(2-ethoxyphenyl)prop-2-enoate
CID 86587267
methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate
CID 13399245
4-methylsulfanylpyridine-3-carbaldehyde
CID 12956352
methyl (E)-2-azido-3-(2-chloro-4-phenoxyphenyl)prop-2-enoate
CID 135358693
methyl (E)-2-azido-3-(3,4-dichloro-2-phenoxyphenyl)prop-2-enoate
CID 135358812
methyl (E)-2-azido-3-[3-bromo-4-(3,4-dichlorophenyl)sulfanylphenyl]prop-2-enoate
CID 135358697
methyl (Z)-2-azido-3-[1-(2,2-dimethylpropanoyl)pyrrol-2-yl]prop-2-enoate
CID 102087708
methyl (E)-2-azido-3-[5-(1-cyanocyclopropyl)-2-pyridinyl]prop-2-enoate
CID 139505909

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate (CID 134971768) is methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate is COC(=O)/C(=C/c1cnccc1SC)N=[N+]=[N-].
What is the InChIKey of methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate?
The InChIKey is JJMQRHPGOFHDMR-YVMONPNESA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-16-10(15)8(13-14-11)5-7-6-12-4-3-9(7)17-2/h3-6H,1-2H3/b8-5-.
What are the key properties of methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate?
methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate has a molecular weight of 250.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-azido-3-(4-methylsulfanyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 134971768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).