(4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C19H15N3O2S2 — CID 99795506

IUPAC(4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCc1cc(-n2ccnc2)ccc1COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C19H15N3O2S2/c1-13-8-16(22-6-5-20-12-22)3-2-14(13)9-24-19(23)17-11-26-18(21-17)15-4-7-25-10-15/h2-8,10-12H,9H2,1H3
InChIKeyLEEPALNGIVOOPG-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.72
Rot. Bonds5

About (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

(4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 99795506) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID99795506
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name(4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCc1cc(-n2ccnc2)ccc1COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C19H15N3O2S2/c1-13-8-16(22-6-5-20-12-22)3-2-14(13)9-24-19(23)17-11-26-18(21-17)15-4-7-25-10-15/h2-8,10-12H,9H2,1H3
InChIKeyLEEPALNGIVOOPG-UHFFFAOYSA-N
XLogP4.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 17469662
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40718331
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659444
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
N-(3-imidazol-1-ylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 86911998
[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24558577
1,3-benzothiazol-2-ylmethyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 40766094
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544768
ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61021131
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122802

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 99795506) is (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is Cc1cc(-n2ccnc2)ccc1COC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is LEEPALNGIVOOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-13-8-16(22-6-5-20-12-22)3-2-14(13)9-24-19(23)17-11-26-18(21-17)15-4-7-25-10-15/h2-8,10-12H,9H2,1H3.
What are the key properties of (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
(4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-yl-2-methylphenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 99795506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).