2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide

C19H26N4O2S — CID 120644919

IUPAC2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(CNC(=O)c2csc(CCN)n2)N2CCOCC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-14-2-4-15(5-3-14)17(23-8-10-25-11-9-23)12-21-19(24)16-13-26-18(22-16)6-7-20/h2-5,13,17H,6-12,20H2,1H3,(H,21,24)
InChIKeySJVCXWHZMALIAO-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.76
Rot. Bonds7

About 2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120644919) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
PubChem CID120644919
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(CNC(=O)c2csc(CCN)n2)N2CCOCC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-14-2-4-15(5-3-14)17(23-8-10-25-11-9-23)12-21-19(24)16-13-26-18(22-16)6-7-20/h2-5,13,17H,6-12,20H2,1H3,(H,21,24)
InChIKeySJVCXWHZMALIAO-UHFFFAOYSA-N
XLogP1.76
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide
CID 120639799
2-(aminomethyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 119866500
2-(aminomethyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119829208
2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119875168
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
2-(2-aminoethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639992
N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97155288
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72938175
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55659916
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
2-(2-aminoethyl)-N-[2-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633662

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide (CID 120644919) is 2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide is Cc1ccc(C(CNC(=O)c2csc(CCN)n2)N2CCOCC2)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SJVCXWHZMALIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14-2-4-15(5-3-14)17(23-8-10-25-11-9-23)12-21-19(24)16-13-26-18(22-16)6-7-20/h2-5,13,17H,6-12,20H2,1H3,(H,21,24).
What are the key properties of 2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 1.76, 7 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-(4-methylphenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120644919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).