2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 117082836

IUPAC2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCN2CCOCC2)s1
InChIInChI=1S/C13H22N4O2S/c1-2-3-14-12(18)11-10-16-13(20-11)15-4-5-17-6-8-19-9-7-17/h10H,2-9H2,1H3,(H,14,18)(H,15,16)
InChIKeyAEDSAJPSQNADDF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.03
Rot. Bonds7

About 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide

2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 117082836) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID117082836
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1cnc(NCCN2CCOCC2)s1
InChIInChI=1S/C13H22N4O2S/c1-2-3-14-12(18)11-10-16-13(20-11)15-4-5-17-6-8-19-9-7-17/h10H,2-9H2,1H3,(H,14,18)(H,15,16)
InChIKeyAEDSAJPSQNADDF-UHFFFAOYSA-N
XLogP1.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide (CID 117082836) is 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1cnc(NCCN2CCOCC2)s1.
What is the InChIKey of 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is AEDSAJPSQNADDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-2-3-14-12(18)11-10-16-13(20-11)15-4-5-17-6-8-19-9-7-17/h10H,2-9H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide?
2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylamino)-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117082836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).