N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide

C19H15Cl2N3OS — CID 3880487

IUPACN-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1)C1CC1
InChIInChI=1S/C19H15Cl2N3OS/c20-15-8-7-14(9-16(15)21)23-19-24-17(10-26-19)11-3-5-13(6-4-11)22-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,22,25)(H,23,24)
InChIKeyQMOZSOVILMFYDK-UHFFFAOYSA-N
MW404.32 g/mol
LogP6.21
Rot. Bonds5

About N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide

N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 3880487) has the molecular formula C19H15Cl2N3OS and a molecular weight of 404.32 g/mol. Its IUPAC name is N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID3880487
Molecular FormulaC19H15Cl2N3OS
Molecular Weight404.32 g/mol
Exact Mass403.03
IUPAC NameN-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1)C1CC1
InChIInChI=1S/C19H15Cl2N3OS/c20-15-8-7-14(9-16(15)21)23-19-24-17(10-26-19)11-3-5-13(6-4-11)22-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,22,25)(H,23,24)
InChIKeyQMOZSOVILMFYDK-UHFFFAOYSA-N
XLogP6.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.32
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 42764618
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 42765483
N-(3,4-dichlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2852816
1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
CID 121080352
4-(cyclopropanecarbonylamino)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 112763465
N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide
CID 142697324
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
(1S,2S,3R,4S)-3-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 18555815
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
3-(cyclopropanecarbonylamino)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 134049851

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide (CID 3880487) is N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1)C1CC1.
What is the InChIKey of N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is QMOZSOVILMFYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3OS/c20-15-8-7-14(9-16(15)21)23-19-24-17(10-26-19)11-3-5-13(6-4-11)22-18(25)12-1-2-12/h3-10,12H,1-2H2,(H,22,25)(H,23,24).
What are the key properties of N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 404.32 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 3880487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).