2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C12H20N4O2S — CID 114400020

IUPAC2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN1CCOC(CNC(=O)c2sc(N)nc2C)C1
InChIInChI=1S/C12H20N4O2S/c1-3-16-4-5-18-9(7-16)6-14-11(17)10-8(2)15-12(13)19-10/h9H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyQVEVQNYDFZBPEK-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.48
Rot. Bonds4

About 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 114400020) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID114400020
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCN1CCOC(CNC(=O)c2sc(N)nc2C)C1
InChIInChI=1S/C12H20N4O2S/c1-3-16-4-5-18-9(7-16)6-14-11(17)10-8(2)15-12(13)19-10/h9H,3-7H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyQVEVQNYDFZBPEK-UHFFFAOYSA-N
XLogP0.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-methyl-N-(oxan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 62792958
N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115631010
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114398905
4-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 30469024
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 114399963
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792040
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 114401081

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 114400020) is 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is CCN1CCOC(CNC(=O)c2sc(N)nc2C)C1.
What is the InChIKey of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QVEVQNYDFZBPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-16-4-5-18-9(7-16)6-14-11(17)10-8(2)15-12(13)19-10/h9H,3-7H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 114400020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).