(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

C13H10N2O3S2 — CID 18099994

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCc1cc(COC(=O)c2csc(-c3cccs3)n2)on1
InChIInChI=1S/C13H10N2O3S2/c1-8-5-9(18-15-8)6-17-13(16)10-7-20-12(14-10)11-3-2-4-19-11/h2-5,7H,6H2,1H3
InChIKeyZYFPFLZHCNIVPG-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.53
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 18099994) has the molecular formula C13H10N2O3S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
PubChem CID18099994
Molecular FormulaC13H10N2O3S2
Molecular Weight306.37 g/mol
Exact Mass306.01
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCc1cc(COC(=O)c2csc(-c3cccs3)n2)on1
InChIInChI=1S/C13H10N2O3S2/c1-8-5-9(18-15-8)6-17-13(16)10-7-20-12(14-10)11-3-2-4-19-11/h2-5,7H,6H2,1H3
InChIKeyZYFPFLZHCNIVPG-UHFFFAOYSA-N
XLogP3.53
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8977238
(5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 86913932
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838113
(2,4-dimethylphenyl) 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 34055279
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 8973569
(4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 27272914
ethyl 4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanoate
CID 37258646
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 46822706
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
[(2S)-1,1,1-trifluoropropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 95783677
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 46608638
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (CID 18099994) is (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is Cc1cc(COC(=O)c2csc(-c3cccs3)n2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is ZYFPFLZHCNIVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S2/c1-8-5-9(18-15-8)6-17-13(16)10-7-20-12(14-10)11-3-2-4-19-11/h2-5,7H,6H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 18099994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).