methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate

C12H19N3O3S — CID 113306717

IUPACmethyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H19N3O3S/c1-17-11(16)10-9-19-12(14-10)13-3-2-4-15-5-7-18-8-6-15/h9H,2-8H2,1H3,(H,13,14)
InChIKeyJSAHYGKNCAQSGF-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.06
Rot. Bonds6

About methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate

methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate (PubChem CID 113306717) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
PubChem CID113306717
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NCCCN2CCOCC2)n1
InChIInChI=1S/C12H19N3O3S/c1-17-11(16)10-9-19-12(14-10)13-3-2-4-15-5-7-18-8-6-15/h9H,2-8H2,1H3,(H,13,14)
InChIKeyJSAHYGKNCAQSGF-UHFFFAOYSA-N
XLogP1.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2-pyrrolidin-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 115424261
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
methyl 2-[3-(2-methoxyethoxy)propylamino]-1,3-thiazole-4-carboxylate
CID 114098751
2-[[4-[tert-butyl(dimethyl)silyl]oxy-5-morpholin-4-ylpentyl]amino]-1,3-thiazole-4-carboxylic acid
CID 175572805
methyl 2-(4,5-dihydroxypentylamino)-1,3-thiazole-4-carboxylate
CID 155592482
2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696602
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559
4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 133370524
2-bromo-N-[(Z)-1-(3-morpholin-4-ylpropylamino)-1-oxobut-2-en-2-yl]-1,3-thiazole-4-carboxamide
CID 170541836
methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115424307

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate (CID 113306717) is methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NCCCN2CCOCC2)n1.
What is the InChIKey of methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is JSAHYGKNCAQSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-17-11(16)10-9-19-12(14-10)13-3-2-4-15-5-7-18-8-6-15/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate?
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 285.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).