N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide

C16H24N2O5S — CID 11111072

IUPACN-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)N[C@H](c1nccs1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H24N2O5S/c1-9(19)18-11(14-17-6-7-24-14)13-12(22-16(4,5)23-13)10-8-20-15(2,3)21-10/h6-7,10-13H,8H2,1-5H3,(H,18,19)/t10-,11+,12-,13-/m1/s1
InChIKeyYYZRDSARDATEAA-YVECIDJPSA-N
MW356.44 g/mol
LogP1.99
Rot. Bonds4

About N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide

N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 11111072) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID11111072
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)N[C@H](c1nccs1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H24N2O5S/c1-9(19)18-11(14-17-6-7-24-14)13-12(22-16(4,5)23-13)10-8-20-15(2,3)21-10/h6-7,10-13H,8H2,1-5H3,(H,18,19)/t10-,11+,12-,13-/m1/s1
InChIKeyYYZRDSARDATEAA-YVECIDJPSA-N
XLogP1.99
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide (CID 11111072) is N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide is CC(=O)N[C@H](c1nccs1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is YYZRDSARDATEAA-YVECIDJPSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-9(19)18-11(14-17-6-7-24-14)13-12(22-16(4,5)23-13)10-8-20-15(2,3)21-10/h6-7,10-13H,8H2,1-5H3,(H,18,19)/t10-,11+,12-,13-/m1/s1.
What are the key properties of N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 356.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 11111072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).