ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate

C10H12N2O3S — CID 139944709

IUPACethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCCOC(=O)c1ccn2c1SCC2C(N)=O
InChIInChI=1S/C10H12N2O3S/c1-2-15-10(14)6-3-4-12-7(8(11)13)5-16-9(6)12/h3-4,7H,2,5H2,1H3,(H2,11,13)
InChIKeyNFKOSAYHIDWSLR-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.80
Rot. Bonds3

About ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate

ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (PubChem CID 139944709) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
PubChem CID139944709
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Nameethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCCOC(=O)c1ccn2c1SCC2C(N)=O
InChIInChI=1S/C10H12N2O3S/c1-2-15-10(14)6-3-4-12-7(8(11)13)5-16-9(6)12/h3-4,7H,2,5H2,1H3,(H2,11,13)
InChIKeyNFKOSAYHIDWSLR-UHFFFAOYSA-N
XLogP0.80
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 5H-pyrrolizine-1-carboxylate
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CID 70536042
ethyl 4-oxoquinolizine-3-carboxylate
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diethyl 1-cyclopropylpyrrole-3,4-dicarboxylate
CID 86258713
ethyl 2-arsanylthiophene-3-carboxylate
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ethyl 3-iodopyridazine-4-carboxylate
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ethyl (3S)-3-amino-2,3-dihydrothiophene-5-carboxylate
CID 131075691
ethyl (4R)-3-benzoyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylate
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ethyl 2-(difluoromethyl)-1-ethylpyrrole-3-carboxylate
CID 126843952

Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (CID 139944709) is ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is CCOC(=O)c1ccn2c1SCC2C(N)=O.
What is the InChIKey of ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is NFKOSAYHIDWSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-2-15-10(14)6-3-4-12-7(8(11)13)5-16-9(6)12/h3-4,7H,2,5H2,1H3,(H2,11,13).
What are the key properties of ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 240.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbamoyl-2,3-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 139944709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).