N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide

C19H21BrN2S — CID 2858486

IUPACN,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1C
InChIInChI=1S/C19H20N2S.BrH/c1-12-5-7-16(9-14(12)3)18-11-22-19(21-18)20-17-8-6-13(2)15(4)10-17;/h5-11H,1-4H3,(H,20,21);1H
InChIKeyPRKDZNQXSSFCFG-UHFFFAOYSA-N
MW389.36 g/mol
LogP6.37
Rot. Bonds3

About N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide

N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2858486) has the molecular formula C19H21BrN2S and a molecular weight of 389.36 g/mol. Its IUPAC name is N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2858486
Molecular FormulaC19H21BrN2S
Molecular Weight389.36 g/mol
Exact Mass388.06
IUPAC NameN,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Cc1ccc(Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1C
InChIInChI=1S/C19H20N2S.BrH/c1-12-5-7-16(9-14(12)3)18-11-22-19(21-18)20-17-8-6-13(2)15(4)10-17;/h5-11H,1-4H3,(H,20,21);1H
InChIKeyPRKDZNQXSSFCFG-UHFFFAOYSA-N
XLogP6.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.36
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
N-(3,4-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 59626916
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323

Frequently Asked Questions

What is the IUPAC name of N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2858486) is N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Cc1ccc(Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1C.
What is the InChIKey of N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is PRKDZNQXSSFCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S.BrH/c1-12-5-7-16(9-14(12)3)18-11-22-19(21-18)20-17-8-6-13(2)15(4)10-17;/h5-11H,1-4H3,(H,20,21);1H.
What are the key properties of N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide?
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 389.36 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2858486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).