2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide

C12H17N3O3S — CID 35262964

IUPAC2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N[C@H](C)[C@H]2CCCO2)cs1
InChIInChI=1S/C12H17N3O3S/c1-7(10-4-3-5-18-10)13-11(17)9-6-19-12(15-9)14-8(2)16/h6-7,10H,3-5H2,1-2H3,(H,13,17)(H,14,15,16)/t7-,10-/m1/s1
InChIKeyXBIQAROCDYLJSE-GMSGAONNSA-N
MW283.35 g/mol
LogP1.40
Rot. Bonds4

About 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 35262964) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID35262964
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N[C@H](C)[C@H]2CCCO2)cs1
InChIInChI=1S/C12H17N3O3S/c1-7(10-4-3-5-18-10)13-11(17)9-6-19-12(15-9)14-8(2)16/h6-7,10H,3-5H2,1-2H3,(H,13,17)(H,14,15,16)/t7-,10-/m1/s1
InChIKeyXBIQAROCDYLJSE-GMSGAONNSA-N
XLogP1.40
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-5-propan-2-ylthiophene-3-carboxamide
CID 29037742
2-acetamido-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 94824310
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 1247088
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
N-[1-(oxolan-2-yl)ethyl]quinoxaline-2-carboxamide
CID 47167763
2-(cyclopropylamino)-N-[(1S)-2-methoxy-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 100735934
5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316128
2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide
CID 75361389
N-[1-(oxolan-2-yl)ethyl]-5-propylthiophene-3-carboxamide
CID 6469294

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide (CID 35262964) is 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)N[C@H](C)[C@H]2CCCO2)cs1.
What is the InChIKey of 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XBIQAROCDYLJSE-GMSGAONNSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-7(10-4-3-5-18-10)13-11(17)9-6-19-12(15-9)14-8(2)16/h6-7,10H,3-5H2,1-2H3,(H,13,17)(H,14,15,16)/t7-,10-/m1/s1.
What are the key properties of 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 35262964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).