4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole

C16H17N5OS — CID 70253758

IUPAC4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nnn(C)n2)cc1/C=C/Cc1csc(C)n1
InChIInChI=1S/C16H17N5OS/c1-11-17-14(10-23-11)6-4-5-12-9-13(7-8-15(12)22-3)16-18-20-21(2)19-16/h4-5,7-10H,6H2,1-3H3/b5-4+
InChIKeyLYUOSNIJLDTDBI-SNAWJCMRSA-N
MW327.41 g/mol
LogP2.91
Rot. Bonds5

About 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole

4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole (PubChem CID 70253758) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole
PubChem CID70253758
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole
SMILESCOc1ccc(-c2nnn(C)n2)cc1/C=C/Cc1csc(C)n1
InChIInChI=1S/C16H17N5OS/c1-11-17-14(10-23-11)6-4-5-12-9-13(7-8-15(12)22-3)16-18-20-21(2)19-16/h4-5,7-10H,6H2,1-3H3/b5-4+
InChIKeyLYUOSNIJLDTDBI-SNAWJCMRSA-N
XLogP2.91
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

2-methoxy-5-(2-methyltetrazol-5-yl)benzaldehyde
CID 10488996
3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
3-(3,4-dimethoxyphenyl)-5-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 55505939
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole
CID 143071473
2-(3,4-dimethoxyphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 5298267
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
5-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]ethyl]-4-methyl-1,3-thiazole
CID 84589047
5-(4-methoxy-3,5-dimethylphenyl)-2-methyltetrazole
CID 14981819
CID 59526706
CID 59526706
(3,4-dimethoxyphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470579
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole (CID 70253758) is 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole is COc1ccc(-c2nnn(C)n2)cc1/C=C/Cc1csc(C)n1.
What is the InChIKey of 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole?
The InChIKey is LYUOSNIJLDTDBI-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-17-14(10-23-11)6-4-5-12-9-13(7-8-15(12)22-3)16-18-20-21(2)19-16/h4-5,7-10H,6H2,1-3H3/b5-4+.
What are the key properties of 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole?
4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole has a molecular weight of 327.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[2-methoxy-5-(2-methyltetrazol-5-yl)phenyl]prop-2-enyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 70253758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).