N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine

C18H10Cl3N3OS — CID 2745528

IUPACN-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(-c3csc(Nc4ccccc4Cl)n3)on2)c(Cl)c1
InChIInChI=1S/C18H10Cl3N3OS/c19-10-5-6-11(13(21)7-10)15-8-17(25-24-15)16-9-26-18(23-16)22-14-4-2-1-3-12(14)20/h1-9H,(H,22,23)
InChIKeyNXNFRVAIKWXROJ-UHFFFAOYSA-N
MW422.72 g/mol
LogP7.17
Rot. Bonds4

About N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine

N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 2745528) has the molecular formula C18H10Cl3N3OS and a molecular weight of 422.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
PubChem CID2745528
Molecular FormulaC18H10Cl3N3OS
Molecular Weight422.72 g/mol
Exact Mass420.96
IUPAC NameN-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(-c3csc(Nc4ccccc4Cl)n3)on2)c(Cl)c1
InChIInChI=1S/C18H10Cl3N3OS/c19-10-5-6-11(13(21)7-10)15-8-17(25-24-15)16-9-26-18(23-16)22-14-4-2-1-3-12(14)20/h1-9H,(H,22,23)
InChIKeyNXNFRVAIKWXROJ-UHFFFAOYSA-N
XLogP7.17
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.72
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dichlorophenyl)methylideneamino]-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 2745532
4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 44534548
4-(2,4-dichloro-5-fluorophenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 10861139
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 2470553
4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide
CID 171109534
4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 1340336
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
N-(2,5-dichlorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 854639
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
N-(2,4-dichlorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58496015

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine (CID 2745528) is N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine is Clc1ccc(-c2cc(-c3csc(Nc4ccccc4Cl)n3)on2)c(Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is NXNFRVAIKWXROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3N3OS/c19-10-5-6-11(13(21)7-10)15-8-17(25-24-15)16-9-26-18(23-16)22-14-4-2-1-3-12(14)20/h1-9H,(H,22,23).
What are the key properties of N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine?
N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 422.72 g/mol, XLogP of 7.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2745528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).