ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate

C10H13N3O3S — CID 135371235

IUPACethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(C(=O)NC2CC2)c1N
InChIInChI=1S/C10H13N3O3S/c1-2-16-10(15)8-6(11)7(13-17-8)9(14)12-5-3-4-5/h5H,2-4,11H2,1H3,(H,12,14)
InChIKeyIVIGOSKHVBHCAO-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.79
Rot. Bonds4

About ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate

ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate (PubChem CID 135371235) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
PubChem CID135371235
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Nameethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(C(=O)NC2CC2)c1N
InChIInChI=1S/C10H13N3O3S/c1-2-16-10(15)8-6(11)7(13-17-8)9(14)12-5-3-4-5/h5H,2-4,11H2,1H3,(H,12,14)
InChIKeyIVIGOSKHVBHCAO-UHFFFAOYSA-N
XLogP0.79
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-oxo-6H,7H-[1,2]thiazolo[4,3-d]pyrimidine-3-carboxylate
CID 135450649
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid ethyl ester
CID 645199
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid cyclohexylcarbamoylmethyl ester
CID 651494
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid 1-tert-butylcarbamoyl-ethyl ester
CID 3219020
4-Amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester
CID 3219071
Ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
CID 863908
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid tert-butylcarbamoyl-methyl ester
CID 646580
Ethyl 4-amino-3-(4-morpholinylcarbonyl)-5-isothiazolecarboxylate
CID 7241275
Methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 50743440
4-Amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 50743412
4-Amino-3-[(cyclopropylmethyl)carbamoyl]-1,2-thiazole-5-carboxylic acid
CID 50743432
4-Amino-3-[(cyclopropylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 56766703

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate (CID 135371235) is ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate is CCOC(=O)c1snc(C(=O)NC2CC2)c1N.
What is the InChIKey of ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate?
The InChIKey is IVIGOSKHVBHCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-2-16-10(15)8-6(11)7(13-17-8)9(14)12-5-3-4-5/h5H,2-4,11H2,1H3,(H,12,14).
What are the key properties of ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate?
ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate has a molecular weight of 255.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 135371235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).