(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate

C14H11NO3S2 — CID 46822706

IUPAC(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCc1csc(-c2cccs2)n1
InChIInChI=1S/C14H11NO3S2/c1-9-11(4-5-17-9)14(16)18-7-10-8-20-13(15-10)12-3-2-6-19-12/h2-6,8H,7H2,1H3
InChIKeyACYYBXGPAGYEKM-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.13
Rot. Bonds4

About (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate

(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate (PubChem CID 46822706) has the molecular formula C14H11NO3S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate
PubChem CID46822706
Molecular FormulaC14H11NO3S2
Molecular Weight305.38 g/mol
Exact Mass305.02
IUPAC Name(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCc1csc(-c2cccs2)n1
InChIInChI=1S/C14H11NO3S2/c1-9-11(4-5-17-9)14(16)18-7-10-8-20-13(15-10)12-3-2-6-19-12/h2-6,8H,7H2,1H3
InChIKeyACYYBXGPAGYEKM-UHFFFAOYSA-N
XLogP4.13
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 18169739
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 2-methylfuran-3-carboxylate
CID 8969978
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
CID 1224004
(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 18099994
(2,3,6-trimethylphenyl) 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 16562698
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethylbenzoate
CID 8650258
dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate
CID 27264242
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methylbenzoate
CID 8845331
pyridin-2-ylmethyl 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 43021631
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-bromobenzoate
CID 7866284

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate (CID 46822706) is (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCc1csc(-c2cccs2)n1.
What is the InChIKey of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate?
The InChIKey is ACYYBXGPAGYEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3S2/c1-9-11(4-5-17-9)14(16)18-7-10-8-20-13(15-10)12-3-2-6-19-12/h2-6,8H,7H2,1H3.
What are the key properties of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate?
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate is sourced from PubChem (CID 46822706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).