2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium

C16H21Cl2N4OS+ — CID 7320615

IUPAC2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H20Cl2N4OS/c1-3-22(4-2)8-7-19-15(23)14-10-24-16(21-14)20-11-5-6-12(17)13(18)9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,23)(H,20,21)/p+1
InChIKeyBMNFAAOXQSEZPD-UHFFFAOYSA-O
MW388.34 g/mol
LogP2.85
Rot. Bonds8

About 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium

2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium (PubChem CID 7320615) has the molecular formula C16H21Cl2N4OS+ and a molecular weight of 388.34 g/mol. Its IUPAC name is 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium
PubChem CID7320615
Molecular FormulaC16H21Cl2N4OS+
Molecular Weight388.34 g/mol
Exact Mass387.08
IUPAC Name2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H20Cl2N4OS/c1-3-22(4-2)8-7-19-15(23)14-10-24-16(21-14)20-11-5-6-12(17)13(18)9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,23)(H,20,21)/p+1
InChIKeyBMNFAAOXQSEZPD-UHFFFAOYSA-O
XLogP2.85
TPSA58.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium with MolForge

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Related Compounds

2-(3,4-dichloroanilino)-N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-1,3-thiazole-4-carboxamide
CID 42813480
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
N-[2-(diethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 3911323
N-butyl-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3974707
N-(2-hydroxyethyl)-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 25246908
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5023632
2-(4-chloroanilino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 122182342
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
2-(3,4-dichloroanilino)-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 83280073
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium?
The IUPAC name of 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium (CID 7320615) is 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium?
The canonical SMILES for 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)c1csc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium?
The InChIKey is BMNFAAOXQSEZPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20Cl2N4OS/c1-3-22(4-2)8-7-19-15(23)14-10-24-16(21-14)20-11-5-6-12(17)13(18)9-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,23)(H,20,21)/p+1.
What are the key properties of 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium?
2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium has a molecular weight of 388.34 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium is sourced from PubChem (CID 7320615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).