methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate

C11H18N4O3S — CID 103379325

IUPACmethyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate
SMILESCCCNC(=O)CCNc1snc(N)c1C(=O)OC
InChIInChI=1S/C11H18N4O3S/c1-3-5-13-7(16)4-6-14-10-8(11(17)18-2)9(12)15-19-10/h14H,3-6H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyGVBAKLVZYXLADU-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.84
Rot. Bonds7

About methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate

methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate (PubChem CID 103379325) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate
PubChem CID103379325
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Namemethyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate
SMILESCCCNC(=O)CCNc1snc(N)c1C(=O)OC
InChIInChI=1S/C11H18N4O3S/c1-3-5-13-7(16)4-6-14-10-8(11(17)18-2)9(12)15-19-10/h14H,3-6H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyGVBAKLVZYXLADU-UHFFFAOYSA-N
XLogP0.84
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
CID 103360319
3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
CID 103384104
ethyl 3-amino-5-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxylate
CID 103384111
methyl 3-amino-5-(3-hydroxypropylamino)-1,2-thiazole-4-carboxylate
CID 103382712
methyl 3-amino-5-(3-methylbutylamino)-1,2-thiazole-4-carboxylate
CID 103382480
methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate
CID 103382318
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
CID 79364484
methyl 3-amino-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylate
CID 103382532
methyl 3-amino-5-(2,2-difluoroethylamino)-1,2-thiazole-4-carboxylate
CID 103383670
methyl 3-amino-5-(2-cyclohexylethylamino)-1,2-thiazole-4-carboxylate
CID 103383128
methyl 3-amino-5-[[2-(dimethylamino)-2-oxoethyl]amino]-1,2-thiazole-4-carboxylate
CID 103382816
methyl 3-amino-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1,2-thiazole-4-carboxylate
CID 106259044

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate (CID 103379325) is methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate is CCCNC(=O)CCNc1snc(N)c1C(=O)OC.
What is the InChIKey of methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate?
The InChIKey is GVBAKLVZYXLADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-3-5-13-7(16)4-6-14-10-8(11(17)18-2)9(12)15-19-10/h14H,3-6H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103379325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).