2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide

C16H20N4O2S — CID 119832087

IUPAC2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C16H20N4O2S/c17-9-15-19-14(11-23-15)16(21)18-13-3-1-12(2-4-13)10-20-5-7-22-8-6-20/h1-4,11H,5-10,17H2,(H,18,21)
InChIKeyAPSUCANZAQMHRI-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.69
Rot. Bonds5

About 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 119832087) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID119832087
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cs1
InChIInChI=1S/C16H20N4O2S/c17-9-15-19-14(11-23-15)16(21)18-13-3-1-12(2-4-13)10-20-5-7-22-8-6-20/h1-4,11H,5-10,17H2,(H,18,21)
InChIKeyAPSUCANZAQMHRI-UHFFFAOYSA-N
XLogP1.69
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
2-(4-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 78823479
2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119839710
2-(aminomethyl)-N-[4-(2-thiomorpholin-4-ylethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119869869
2-(aminomethyl)-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 119848862
2-(aminomethyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119749382
2-(aminomethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 119902608
2-(aminomethyl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119871793
2-(aminomethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119869794
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 119832087) is 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is APSUCANZAQMHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c17-9-15-19-14(11-23-15)16(21)18-13-3-1-12(2-4-13)10-20-5-7-22-8-6-20/h1-4,11H,5-10,17H2,(H,18,21).
What are the key properties of 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119832087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).