ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide

C10H11N3O3S2 — CID 159602190

IUPACethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide
SMILESCCOC(=O)c1nccs1.NC(=O)c1nccs1
InChIInChI=1S/C6H7NO2S.C4H4N2OS/c1-2-9-6(8)5-7-3-4-10-5;5-3(7)4-6-1-2-8-4/h3-4H,2H2,1H3;1-2H,(H2,5,7)
InChIKeyMLPUFXYPOGPDKG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.56
Rot. Bonds3

About ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide

ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide (PubChem CID 159602190) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Nameethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide
PubChem CID159602190
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC Nameethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide
SMILESCCOC(=O)c1nccs1.NC(=O)c1nccs1
InChIInChI=1S/C6H7NO2S.C4H4N2OS/c1-2-9-6(8)5-7-3-4-10-5;5-3(7)4-6-1-2-8-4/h3-4H,2H2,1H3;1-2H,(H2,5,7)
InChIKeyMLPUFXYPOGPDKG-UHFFFAOYSA-N
XLogP1.56
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

hydroxymethyl 1,3-thiazole-2-carboxylate
CID 145074713
ethyl 3-(1,3-thiazol-2-yl)but-2-enoate
CID 171145623
ethyl 5-amino-3-methyl-1-(1,3-thiazole-2-carbonyl)pyrazole-4-carboxylate
CID 110468023
1,3-oxazole;1,3-thiazole-2-carboxamide
CID 161463999
ethyl 2-(1,3-thiazol-2-yl)propanoate
CID 158867991
octan-2-yl 1,3-thiazole-2-carboxylate
CID 174358733
ethyl 4,5-dihydroxy-3-nitro-2-(1,3-thiazole-2-carbonyl)benzoate
CID 135911664
1-O-ethyl 3-O-(1,3-thiazol-2-yl) propanedioate
CID 174640375
ethyl N-amino-N-(1,3-thiazol-2-yl)carbamate
CID 175372903
ethyl 5-tert-butyl-1-(1,3-thiazol-2-ylmethyl)triazole-4-carboxylate
CID 103106344
ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
CID 146082356
ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
CID 63992032

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide?
The IUPAC name of ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide (CID 159602190) is ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide.
What is the SMILES notation for ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide?
The canonical SMILES for ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide is CCOC(=O)c1nccs1.NC(=O)c1nccs1.
What is the InChIKey of ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide?
The InChIKey is MLPUFXYPOGPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.C4H4N2OS/c1-2-9-6(8)5-7-3-4-10-5;5-3(7)4-6-1-2-8-4/h3-4H,2H2,1H3;1-2H,(H2,5,7).
What are the key properties of ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide?
ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-thiazole-2-carboxylate;1,3-thiazole-2-carboxamide is sourced from PubChem (CID 159602190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).