N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide

C19H22N2O4S — CID 167461229

IUPACN-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnsc2)cc([C@H]2C[C@H](O)[C@@H]3OC(C)(C)O[C@@H]32)c1
InChIInChI=1S/C19H22N2O4S/c1-10(22)21-14-5-11(13-8-20-26-9-13)4-12(6-14)15-7-16(23)18-17(15)24-19(2,3)25-18/h4-6,8-9,15-18,23H,7H2,1-3H3,(H,21,22)/t15-,16+,17-,18+/m1/s1
InChIKeyIOCCURRHOLWSCY-XDNAFOTISA-N
MW374.46 g/mol
LogP3.14
Rot. Bonds3

About N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide

N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide (PubChem CID 167461229) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide
PubChem CID167461229
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnsc2)cc([C@H]2C[C@H](O)[C@@H]3OC(C)(C)O[C@@H]32)c1
InChIInChI=1S/C19H22N2O4S/c1-10(22)21-14-5-11(13-8-20-26-9-13)4-12(6-14)15-7-16(23)18-17(15)24-19(2,3)25-18/h4-6,8-9,15-18,23H,7H2,1-3H3,(H,21,22)/t15-,16+,17-,18+/m1/s1
InChIKeyIOCCURRHOLWSCY-XDNAFOTISA-N
XLogP3.14
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide (CID 167461229) is N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide is CC(=O)Nc1cc(-c2cnsc2)cc([C@H]2C[C@H](O)[C@@H]3OC(C)(C)O[C@@H]32)c1.
What is the InChIKey of N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide?
The InChIKey is IOCCURRHOLWSCY-XDNAFOTISA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-10(22)21-14-5-11(13-8-20-26-9-13)4-12(6-14)15-7-16(23)18-17(15)24-19(2,3)25-18/h4-6,8-9,15-18,23H,7H2,1-3H3,(H,21,22)/t15-,16+,17-,18+/m1/s1.
What are the key properties of N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide?
N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-(1,2-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 167461229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).