2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane

C18H18Cl2N2OS — CID 158555403

IUPAC2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
SMILESC1C[C@H]2CC2C2C[C@@H]12.NC(=O)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H6Cl2N2OS.C8H12/c11-6-3-1-2-5(8(6)12)10-14-7(4-16-10)9(13)15;1-2-6-4-8(6)7-3-5(1)7/h1-4H,(H2,13,15);5-8H,1-4H2/t;5-,6+,7?,8?
InChIKeyHQFPQCFIZPMSHU-PIUIIEEFSA-N
MW381.33 g/mol
LogP5.27
Rot. Bonds2

About 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane

2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane (PubChem CID 158555403) has the molecular formula C18H18Cl2N2OS and a molecular weight of 381.33 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
PubChem CID158555403
Molecular FormulaC18H18Cl2N2OS
Molecular Weight381.33 g/mol
Exact Mass380.05
IUPAC Name2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane
SMILESC1C[C@H]2CC2C2C[C@@H]12.NC(=O)c1csc(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H6Cl2N2OS.C8H12/c11-6-3-1-2-5(8(6)12)10-14-7(4-16-10)9(13)15;1-2-6-4-8(6)7-3-5(1)7/h1-4H,(H2,13,15);5-8H,1-4H2/t;5-,6+,7?,8?
InChIKeyHQFPQCFIZPMSHU-PIUIIEEFSA-N
XLogP5.27
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.33
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane with MolForge

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Related Compounds

[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone
CID 58924946
N-cyclohexyl-2-(2,3-dichlorophenyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 58924904
2-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 2743991
2-(2-bromophenyl)-1,3-thiazole-4-carboxamide
CID 116892022
1-[2-(2,3-dichlorophenyl)-1,3-thiazole-4-carbonyl]azepan-4-one
CID 58924942
2-(5-chloro-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 116891997
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119456734
2-(2,6-dichlorophenyl)-1,3-thiazole-4-carbothioamide
CID 82515860
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630
2-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 138377814
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119456733

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane?
The IUPAC name of 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane (CID 158555403) is 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane is C1C[C@H]2CC2C2C[C@@H]12.NC(=O)c1csc(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane?
The InChIKey is HQFPQCFIZPMSHU-PIUIIEEFSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS.C8H12/c11-6-3-1-2-5(8(6)12)10-14-7(4-16-10)9(13)15;1-2-6-4-8(6)7-3-5(1)7/h1-4H,(H2,13,15);5-8H,1-4H2/t;5-,6+,7?,8?.
What are the key properties of 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane?
2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane has a molecular weight of 381.33 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide;(4R,7S)-tricyclo[5.1.0.02,4]octane is sourced from PubChem (CID 158555403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).