4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C13H23N5O2S — CID 116671563

IUPAC4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCNCCCN(C)C(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C13H23N5O2S/c1-15-4-3-5-17(2)12(19)10-11(14)16-13(21-10)18-6-8-20-9-7-18/h15H,3-9,14H2,1-2H3
InChIKeyBRKLJOZPNNMJNQ-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.24
Rot. Bonds6

About 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 116671563) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID116671563
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCNCCCN(C)C(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C13H23N5O2S/c1-15-4-3-5-17(2)12(19)10-11(14)16-13(21-10)18-6-8-20-9-7-18/h15H,3-9,14H2,1-2H3
InChIKeyBRKLJOZPNNMJNQ-UHFFFAOYSA-N
XLogP0.24
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116663282
4-amino-N-(3-hydroxybutyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673878
4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671879
4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668307
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106918863
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
4-amino-N-(4-methylsulfanylbutyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672727
4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670811
4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116667349
4-amino-2-(4-aminopiperidin-1-yl)-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116662970
4-amino-N-[(2-methylcyclopropyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673035
4-amino-N-methyl-N-pent-4-enyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116673968

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 116671563) is 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CNCCCN(C)C(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is BRKLJOZPNNMJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-15-4-3-5-17(2)12(19)10-11(14)16-13(21-10)18-6-8-20-9-7-18/h15H,3-9,14H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 313.43 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).