2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide

C14H24N4O2S — CID 66391054

IUPAC2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1csc(CCN)n1)N1CCOCC1
InChIInChI=1S/C14H24N4O2S/c1-14(2,18-5-7-20-8-6-18)10-16-13(19)11-9-21-12(17-11)3-4-15/h9H,3-8,10,15H2,1-2H3,(H,16,19)
InChIKeyRRTYBKLBPSCGHK-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.48
Rot. Bonds6

About 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 66391054) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID66391054
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1csc(CCN)n1)N1CCOCC1
InChIInChI=1S/C14H24N4O2S/c1-14(2,18-5-7-20-8-6-18)10-16-13(19)11-9-21-12(17-11)3-4-15/h9H,3-8,10,15H2,1-2H3,(H,16,19)
InChIKeyRRTYBKLBPSCGHK-UHFFFAOYSA-N
XLogP0.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 120640870
2-(2-aminoethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120645328
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623914
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 120644919
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 120641687
2-(2-aminoethyl)-N-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide
CID 120638429
2-(2-aminoethyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 120639799
2-(2-aminoethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66388742
2-(2-aminoethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 120642311

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide (CID 66391054) is 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide is CC(C)(CNC(=O)c1csc(CCN)n1)N1CCOCC1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RRTYBKLBPSCGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-14(2,18-5-7-20-8-6-18)10-16-13(19)11-9-21-12(17-11)3-4-15/h9H,3-8,10,15H2,1-2H3,(H,16,19).
What are the key properties of 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66391054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).