N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide

C20H20BrN3OS — CID 30141968

About N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide

N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (PubChem CID 30141968) has the molecular formula C20H20BrN3OS and a molecular weight of 430.37 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
• PubChem CID: 30141968
• Molecular Formula: C20H20BrN3OS
• Molecular Weight: 430.37 g/mol
• Exact Mass: 429.05
• IUPAC Name: N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@H](C)c1ccc(Br)cc1
• InChI: InChI=1S/C20H20BrN3OS/c1-13(15-9-11-16(21)12-10-15)22-19(25)18-14(2)23-20(26-18)24(3)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,25)/t13-/m1/s1
• InChIKey: XFNCSYPYCIHVHK-CYBMUJFWSA-N
• XLogP: 5.47
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.37
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide (CID 30141968) is N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@H](C)c1ccc(Br)cc1.

What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?

The InChIKey is XFNCSYPYCIHVHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20BrN3OS/c1-13(15-9-11-16(21)12-10-15)22-19(25)18-14(2)23-20(26-18)24(3)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,25)/t13-/m1/s1.

What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide?

N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide has a molecular weight of 430.37 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30141968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).