propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate

C14H22N2O3S — CID 57286200

IUPACpropan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCC(C)OC(=O)C1=C2SCC(C(C)C(N)=O)N2CC1C
InChIInChI=1S/C14H22N2O3S/c1-7(2)19-14(18)11-8(3)5-16-10(6-20-13(11)16)9(4)12(15)17/h7-10H,5-6H2,1-4H3,(H2,15,17)
InChIKeyYGGSTOOYDUBLTA-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds4

About propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate

propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (PubChem CID 57286200) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
PubChem CID57286200
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namepropan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCC(C)OC(=O)C1=C2SCC(C(C)C(N)=O)N2CC1C
InChIInChI=1S/C14H22N2O3S/c1-7(2)19-14(18)11-8(3)5-16-10(6-20-13(11)16)9(4)12(15)17/h7-10H,5-6H2,1-4H3,(H2,15,17)
InChIKeyYGGSTOOYDUBLTA-UHFFFAOYSA-N
XLogP1.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 57314736
2-(6-methyl-7-propan-2-yloxycarbonyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-ylidene)acetic acid
CID 67755548
propan-2-yl 3-[2-(dimethylamino)-2-oxoethylidene]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 57271419
propan-2-yl 3-[2-(2-hydroxyethylamino)-2-oxoethylidene]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819423
propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819570
propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819589
5-methyl-3-propan-2-yloxycarbonylbicyclo[2.2.1]hept-2-ene-2-carboxylic acid
CID 70926126
CID 50923065
CID 50923065
2-(4-methylcyclohexyl)propanamide
CID 175989942
dipropan-2-yl 5-amino-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate
CID 751468
propan-2-yl 3-amino-2-(1,3-dithietan-2-ylidene)-3-oxopropanoate
CID 10399099
dipropan-2-yl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 102483593

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (CID 57286200) is propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is CC(C)OC(=O)C1=C2SCC(C(C)C(N)=O)N2CC1C.
What is the InChIKey of propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is YGGSTOOYDUBLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-7(2)19-14(18)11-8(3)5-16-10(6-20-13(11)16)9(4)12(15)17/h7-10H,5-6H2,1-4H3,(H2,15,17).
What are the key properties of propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-6-methyl-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 57286200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).