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

C13H10ClN3O2S2 — CID 86913932

IUPAC(5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCn1c(Cl)cnc1COC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C13H10ClN3O2S2/c1-17-10(14)5-15-11(17)6-19-13(18)8-7-21-12(16-8)9-3-2-4-20-9/h2-5,7H,6H2,1H3
InChIKeyFXEGTEPOCRRQIY-UHFFFAOYSA-N
MW339.83 g/mol
LogP3.62
Rot. Bonds4

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

(5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 86913932) has the molecular formula C13H10ClN3O2S2 and a molecular weight of 339.83 g/mol. Its IUPAC name is (5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
PubChem CID86913932
Molecular FormulaC13H10ClN3O2S2
Molecular Weight339.83 g/mol
Exact Mass338.99
IUPAC Name(5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCn1c(Cl)cnc1COC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C13H10ClN3O2S2/c1-17-10(14)5-15-11(17)6-19-13(18)8-7-21-12(16-8)9-3-2-4-20-9/h2-5,7H,6H2,1H3
InChIKeyFXEGTEPOCRRQIY-UHFFFAOYSA-N
XLogP3.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 18099994
(4-pyrazol-1-ylphenyl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 27272914
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 8973569
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8977238
(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 55402330
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 46608638
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
(5-chloro-1-methylimidazol-2-yl)methyl 3,4-dimethoxybenzoate
CID 46538283
[(2S)-1,1,1-trifluoropropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 95783677
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8838113
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 46822706

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of (5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (CID 86913932) is (5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is Cn1c(Cl)cnc1COC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of (5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is FXEGTEPOCRRQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S2/c1-17-10(14)5-15-11(17)6-19-13(18)8-7-21-12(16-8)9-3-2-4-20-9/h2-5,7H,6H2,1H3.
What are the key properties of (5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
(5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 339.83 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylimidazol-2-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 86913932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).