dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate

C15H24N2O5S — CID 24747497

IUPACdipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
SMILESCCCOC(=O)C1NC(=O)N2C(C(=O)OCCC)C(C)(C)S[C@H]12
InChIInChI=1S/C15H24N2O5S/c1-5-7-21-12(18)9-11-17(14(20)16-9)10(15(3,4)23-11)13(19)22-8-6-2/h9-11H,5-8H2,1-4H3,(H,16,20)/t9?,10?,11-/m1/s1
InChIKeyHOROARFPHFSYJN-VQXHTEKXSA-N
MW344.43 g/mol
LogP1.51
Rot. Bonds6

About dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate

dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate (PubChem CID 24747497) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate.

Molecular Properties

Compound Namedipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
PubChem CID24747497
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Namedipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
SMILESCCCOC(=O)C1NC(=O)N2C(C(=O)OCCC)C(C)(C)S[C@H]12
InChIInChI=1S/C15H24N2O5S/c1-5-7-21-12(18)9-11-17(14(20)16-9)10(15(3,4)23-11)13(19)22-8-6-2/h9-11H,5-8H2,1-4H3,(H,16,20)/t9?,10?,11-/m1/s1
InChIKeyHOROARFPHFSYJN-VQXHTEKXSA-N
XLogP1.51
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-Hydroxypenillic acid
CID 6451507
dimethyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
CID 24747406
dipropyl (3S,7R,7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
CID 90148313
(3S,7R,7aR)-dimethyl 2,2-dimethyl-5-oxohexahydroimidazo[5,1-b]thiazole-3,7-dicarboxylate
CID 90148314
disodium;(3S,7R,7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
CID 156602435
dimethyl (3S,7R,7aR)-2,2,6-trimethyl-5-oxo-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
CID 156602451
Ethyl 2-(2-ethoxy-1-formamido-2-oxo-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylate
CID 504548
disodium;(7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
CID 25011528
Dipropyl 2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
CID 73757616
dimethyl (3R,7S,7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
CID 90661720
dimethyl (7R,7aR)-2,2,6-trimethyl-5-oxo-7,7a-dihydro-3H-imidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
CID 25011526
Dimethyl 2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate
CID 73757605

Frequently Asked Questions

What is the IUPAC name of dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate?
The IUPAC name of dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate (CID 24747497) is dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate.
What is the SMILES notation for dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate?
The canonical SMILES for dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate is CCCOC(=O)C1NC(=O)N2C(C(=O)OCCC)C(C)(C)S[C@H]12.
What is the InChIKey of dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate?
The InChIKey is HOROARFPHFSYJN-VQXHTEKXSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-5-7-21-12(18)9-11-17(14(20)16-9)10(15(3,4)23-11)13(19)22-8-6-2/h9-11H,5-8H2,1-4H3,(H,16,20)/t9?,10?,11-/m1/s1.
What are the key properties of dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate?
dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate has a molecular weight of 344.43 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl (7aR)-2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylate is sourced from PubChem (CID 24747497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).