2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide

C17H26N2O3S — CID 133264846

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
SMILESCC(C)=CCO[C@@H]1CCOC[C@@H]1NC(=O)Cc1nc(C)sc1C
InChIInChI=1S/C17H26N2O3S/c1-11(2)5-8-22-16-6-7-21-10-15(16)19-17(20)9-14-12(3)23-13(4)18-14/h5,15-16H,6-10H2,1-4H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyLHAVMQGXQKBJGJ-JKSUJKDBSA-N
MW338.47 g/mol
LogP2.56
Rot. Bonds6

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide (PubChem CID 133264846) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
PubChem CID133264846
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
SMILESCC(C)=CCO[C@@H]1CCOC[C@@H]1NC(=O)Cc1nc(C)sc1C
InChIInChI=1S/C17H26N2O3S/c1-11(2)5-8-22-16-6-7-21-10-15(16)19-17(20)9-14-12(3)23-13(4)18-14/h5,15-16H,6-10H2,1-4H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyLHAVMQGXQKBJGJ-JKSUJKDBSA-N
XLogP2.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide (CID 133264846) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide is CC(C)=CCO[C@@H]1CCOC[C@@H]1NC(=O)Cc1nc(C)sc1C.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
The InChIKey is LHAVMQGXQKBJGJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-11(2)5-8-22-16-6-7-21-10-15(16)19-17(20)9-14-12(3)23-13(4)18-14/h5,15-16H,6-10H2,1-4H3,(H,19,20)/t15-,16+/m0/s1.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide is sourced from PubChem (CID 133264846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).