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

C16H24N2O3S — CID 91797508

IUPAC2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1sc(C)nc1C
InChIInChI=1S/C16H24N2O3S/c1-10(2)5-8-21-14-9-20-7-6-13(14)18-16(19)15-11(3)17-12(4)22-15/h5,13-14H,6-9H2,1-4H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyLUTMQTLJNWWRSR-ZIAGYGMSSA-N
MW324.45 g/mol
LogP2.63
Rot. Bonds5

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

2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 91797508) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID91797508
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide
SMILESCC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1sc(C)nc1C
InChIInChI=1S/C16H24N2O3S/c1-10(2)5-8-21-14-9-20-7-6-13(14)18-16(19)15-11(3)17-12(4)22-15/h5,13-14H,6-9H2,1-4H3,(H,18,19)/t13-,14-/m1/s1
InChIKeyLUTMQTLJNWWRSR-ZIAGYGMSSA-N
XLogP2.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-5-carboxamide
CID 91772333
2-amino-6-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrimidine-4-carboxamide
CID 164630030
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91786689
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3S,4R)-4-(3-methylbut-2-enoxy)oxan-3-yl]acetamide
CID 133264846
1-methyl-N-[(3R,4S)-3-(3-methylbut-2-enoxy)oxan-4-yl]pyrrole-2-carboxamide
CID 164634615
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 91783225
4-fluoro-3-hydroxy-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91770821
4-ethyl-2-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91777414
N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91761513
2-cyclopropyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 91772398
4-methyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]piperazine-1-carboxamide
CID 91774051
3-(difluoromethoxy)-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91776698

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide (CID 91797508) is 2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide is CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1sc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LUTMQTLJNWWRSR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10(2)5-8-21-14-9-20-7-6-13(14)18-16(19)15-11(3)17-12(4)22-15/h5,13-14H,6-9H2,1-4H3,(H,18,19)/t13-,14-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91797508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).