4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid

C12H19N3O3S — CID 80570559

IUPAC4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCCCN2CCOCC2)sc1C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-9-10(11(16)17)19-12(14-9)13-3-2-4-15-5-7-18-8-6-15/h2-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyQLKJTSPPOSXNTE-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.28
Rot. Bonds6

About 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80570559) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID80570559
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NCCCN2CCOCC2)sc1C(=O)O
InChIInChI=1S/C12H19N3O3S/c1-9-10(11(16)17)19-12(14-9)13-3-2-4-15-5-7-18-8-6-15/h2-8H2,1H3,(H,13,14)(H,16,17)
InChIKeyQLKJTSPPOSXNTE-UHFFFAOYSA-N
XLogP1.28
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxypropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9154626
2-[4-(dimethylamino)butylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569635
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
4-methyl-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carboxylic acid
CID 83182094
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
5-(2-aminoethyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 94696966
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112698599
3-methyl-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 62710111
4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide
CID 7576732
4-methyl-2-(3-morpholin-4-ylpropylamino)benzo[e][1,3]benzothiazol-5-ol;chloride;hydrochloride
CID 161241528
4-methyl-2-(2-phenylethylamino)-1,3-thiazole-5-carboxylic acid
CID 4961858

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid (CID 80570559) is 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid is Cc1nc(NCCCN2CCOCC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is QLKJTSPPOSXNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-10(11(16)17)19-12(14-9)13-3-2-4-15-5-7-18-8-6-15/h2-8H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 285.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).