2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide

C16H28N4O2S — CID 120640870

IUPAC2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2csc(CCN)n2)CC(C)O1
InChIInChI=1S/C16H28N4O2S/c1-11-7-20(8-12(2)22-11)16(3,4)10-18-15(21)13-9-23-14(19-13)5-6-17/h9,11-12H,5-8,10,17H2,1-4H3,(H,18,21)
InChIKeyKOHVOULDJQPPIP-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.26
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (PubChem CID 120640870) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
PubChem CID120640870
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2csc(CCN)n2)CC(C)O1
InChIInChI=1S/C16H28N4O2S/c1-11-7-20(8-12(2)22-11)16(3,4)10-18-15(21)13-9-23-14(19-13)5-6-17/h9,11-12H,5-8,10,17H2,1-4H3,(H,18,21)
InChIKeyKOHVOULDJQPPIP-UHFFFAOYSA-N
XLogP1.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 66391054
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-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120641712
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
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-(2,2-diethyl-4-hydroxybutyl)-1,3-thiazole-4-carboxamide
CID 120638429
2-(aminomethyl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119841026
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618626

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide (CID 120640870) is 2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is CC1CN(C(C)(C)CNC(=O)c2csc(CCN)n2)CC(C)O1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KOHVOULDJQPPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-11-7-20(8-12(2)22-11)16(3,4)10-18-15(21)13-9-23-14(19-13)5-6-17/h9,11-12H,5-8,10,17H2,1-4H3,(H,18,21).
What are the key properties of 2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 1.26, 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-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120640870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).