2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride

C17H20Cl2N4OS2 — CID 119773143

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(Sc2nncs2)c(Cl)c1
InChIInChI=1S/C17H19ClN4OS2.ClH/c18-14-8-13(3-4-15(14)25-17-22-19-9-24-17)21-16(23)7-10-5-11-1-2-12(6-10)20-11;/h3-4,8-12,20H,1-2,5-7H2,(H,21,23);1H
InChIKeyOCNFRTOTTBYJJG-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.62
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride (PubChem CID 119773143) has the molecular formula C17H20Cl2N4OS2 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride
PubChem CID119773143
Molecular FormulaC17H20Cl2N4OS2
Molecular Weight431.41 g/mol
Exact Mass430.05
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(Sc2nncs2)c(Cl)c1
InChIInChI=1S/C17H19ClN4OS2.ClH/c18-14-8-13(3-4-15(14)25-17-22-19-9-24-17)21-16(23)7-10-5-11-1-2-12(6-10)20-11;/h3-4,8-12,20H,1-2,5-7H2,(H,21,23);1H
InChIKeyOCNFRTOTTBYJJG-UHFFFAOYSA-N
XLogP4.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide
CID 119773144
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119772458
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]acetamide
CID 119760650
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzamide;hydrochloride
CID 119711582
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119734492
methyl 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzoate;hydrochloride
CID 119794116
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide
CID 119742671
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 119715566
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
CID 119789178
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride (CID 119773143) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccc(Sc2nncs2)c(Cl)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride?
The InChIKey is OCNFRTOTTBYJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4OS2.ClH/c18-14-8-13(3-4-15(14)25-17-22-19-9-24-17)21-16(23)7-10-5-11-1-2-12(6-10)20-11;/h3-4,8-12,20H,1-2,5-7H2,(H,21,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride has a molecular weight of 431.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-chloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119773143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).