2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C15H23N5O3S — CID 119890308

IUPAC2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC2CC(=O)N(CCN3CCOCC3)C2)cs1
InChIInChI=1S/C15H23N5O3S/c16-8-13-18-12(10-24-13)15(22)17-11-7-14(21)20(9-11)2-1-19-3-5-23-6-4-19/h10-11H,1-9,16H2,(H,17,22)
InChIKeyQWMUETDWZLQQAE-UHFFFAOYSA-N
MW353.45 g/mol
LogP-0.74
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 119890308) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID119890308
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC2CC(=O)N(CCN3CCOCC3)C2)cs1
InChIInChI=1S/C15H23N5O3S/c16-8-13-18-12(10-24-13)15(22)17-11-7-14(21)20(9-11)2-1-19-3-5-23-6-4-19/h10-11H,1-9,16H2,(H,17,22)
InChIKeyQWMUETDWZLQQAE-UHFFFAOYSA-N
XLogP-0.74
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 132972010
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 124609380
2-(aminomethyl)-N-[1-(2-methoxyethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119861365
2-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800841
3-bromo-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167895695
1-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119890286
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852
2-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119832087
2-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119854229
2-(aminomethyl)-N-(1-cyclopropylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119864834
2-(aminomethyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119835012

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 119890308) is 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NC2CC(=O)N(CCN3CCOCC3)C2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is QWMUETDWZLQQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3S/c16-8-13-18-12(10-24-13)15(22)17-11-7-14(21)20(9-11)2-1-19-3-5-23-6-4-19/h10-11H,1-9,16H2,(H,17,22).
What are the key properties of 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119890308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).