N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide

C18H22N4O3S — CID 4270177

IUPACN-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21
InChIInChI=1S/C18H22N4O3S/c1-6-7-21-15-11(3)8-10(2)9-14(15)18(16(21)25)22(13(5)24)20-17(26-18)19-12(4)23/h8-9H,6-7H2,1-5H3,(H,19,20,23)
InChIKeyZULIZQXKUMTYLY-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.22
Rot. Bonds2

About N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide

N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (PubChem CID 4270177) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
PubChem CID4270177
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide
SMILESCCCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21
InChIInChI=1S/C18H22N4O3S/c1-6-7-21-15-11(3)8-10(2)9-14(15)18(16(21)25)22(13(5)24)20-17(26-18)19-12(4)23/h8-9H,6-7H2,1-5H3,(H,19,20,23)
InChIKeyZULIZQXKUMTYLY-UHFFFAOYSA-N
XLogP2.22
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The IUPAC name of N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide (CID 4270177) is N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The canonical SMILES for N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is CCCN1C(=O)C2(SC(NC(C)=O)=NN2C(C)=O)c2cc(C)cc(C)c21.
What is the InChIKey of N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
The InChIKey is ZULIZQXKUMTYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-6-7-21-15-11(3)8-10(2)9-14(15)18(16(21)25)22(13(5)24)20-17(26-18)19-12(4)23/h8-9H,6-7H2,1-5H3,(H,19,20,23).
What are the key properties of N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide?
N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide has a molecular weight of 374.47 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5',7'-dimethyl-2'-oxo-1'-propylspiro[1,3,4-thiadiazole-5,3'-indole]-2-yl)acetamide is sourced from PubChem (CID 4270177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).