N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide

C18H15Cl2N3OS — CID 30134324

IUPACN-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccccc2)sc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c1-11-16(17(24)22-15-13(19)9-6-10-14(15)20)25-18(21-11)23(2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,22,24)
InChIKeyWPURYHGMAKZTGF-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.78
Rot. Bonds4

About N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide

N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 30134324) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
PubChem CID30134324
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC NameN-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)c2ccccc2)sc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C18H15Cl2N3OS/c1-11-16(17(24)22-15-13(19)9-6-10-14(15)20)25-18(21-11)23(2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,22,24)
InChIKeyWPURYHGMAKZTGF-UHFFFAOYSA-N
XLogP5.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134319
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
N-(5-chloro-2-methylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134315
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
4-methyl-2-(N-methylanilino)-N-(3-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 30141715
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
CID 30141824
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141968

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (CID 30134324) is N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
The InChIKey is WPURYHGMAKZTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-11-16(17(24)22-15-13(19)9-6-10-14(15)20)25-18(21-11)23(2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,22,24).
What are the key properties of N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 392.31 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30134324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).