2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide

C15H23N3O3S — CID 164641873

IUPAC2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)s1
InChIInChI=1S/C15H23N3O3S/c1-11(19)14-16-9-13(22-14)15(20)18(7-6-17(2)3)10-12-5-4-8-21-12/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyHFTNEZOMXQNDRV-GFCCVEGCSA-N
MW325.43 g/mol
LogP1.53
Rot. Bonds7

About 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide

2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 164641873) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID164641873
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)s1
InChIInChI=1S/C15H23N3O3S/c1-11(19)14-16-9-13(22-14)15(20)18(7-6-17(2)3)10-12-5-4-8-21-12/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1
InChIKeyHFTNEZOMXQNDRV-GFCCVEGCSA-N
XLogP1.53
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide (CID 164641873) is 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide is CC(=O)c1ncc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)s1.
What is the InChIKey of 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HFTNEZOMXQNDRV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-11(19)14-16-9-13(22-14)15(20)18(7-6-17(2)3)10-12-5-4-8-21-12/h9,12H,4-8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide?
2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 164641873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).