CID 171722754

C15H13ClN2O3S — CID 171722754

IUPAC—
SMILES[CH]C([CH])([CH])OC(=O)N1CCC2(CC1)Cc1nc(Cl)sc1C2=O
InChIInChI=1S/C15H13ClN2O3S/c1-14(2,3)21-13(20)18-6-4-15(5-7-18)8-9-10(11(15)19)22-12(16)17-9/h1-3H,4-8H2
InChIKeyYWLBNSVXZNHABG-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.63
Rot. Bonds1

About CID 171722754

CID 171722754 (PubChem CID 171722754) has the molecular formula C15H13ClN2O3S and a molecular weight of 336.80 g/mol.

Molecular Properties

Compound NameCID 171722754
PubChem CID171722754
Molecular FormulaC15H13ClN2O3S
Molecular Weight336.80 g/mol
Exact Mass336.03
IUPAC Name—
SMILES[CH]C([CH])([CH])OC(=O)N1CCC2(CC1)Cc1nc(Cl)sc1C2=O
InChIInChI=1S/C15H13ClN2O3S/c1-14(2,3)21-13(20)18-6-4-15(5-7-18)8-9-10(11(15)19)22-12(16)17-9/h1-3H,4-8H2
InChIKeyYWLBNSVXZNHABG-UHFFFAOYSA-N
XLogP2.63
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-Butyl 2-chloro-6-oxo-4,6-dihydrospiro[cyclopenta[d]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142433864
tert-Butyl 2-chloro-4-oxo-4,6-dihydrospiro[cyclopenta[d]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142434134
tert-butyl 2-methyl-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155164220
tert-butyl 2-methyl-4-oxospiro[6H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 156711836
Tert-butyl 2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 167307665
CID 171722792
CID 171722792
2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 174240814
tert-butyl 2'-tert-butyl-2-chloro-6-oxospiro[4H-cyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 175736625

Frequently Asked Questions

What is the IUPAC name of CID 171722754?
The IUPAC name of CID 171722754 (CID 171722754) is not available.
What is the SMILES notation for CID 171722754?
The canonical SMILES for CID 171722754 is [CH]C([CH])([CH])OC(=O)N1CCC2(CC1)Cc1nc(Cl)sc1C2=O.
What is the InChIKey of CID 171722754?
The InChIKey is YWLBNSVXZNHABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3S/c1-14(2,3)21-13(20)18-6-4-15(5-7-18)8-9-10(11(15)19)22-12(16)17-9/h1-3H,4-8H2.
What are the key properties of CID 171722754?
CID 171722754 has a molecular weight of 336.80 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171722754 is sourced from PubChem (CID 171722754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).