4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine

C34H32N4S2 — CID 161234714

IUPAC4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1csc(N)n1.Cc1cc(-c2ccccc2)cc(C)c1-c1csc(N)n1
InChIInChI=1S/2C17H16N2S/c2*1-11-8-14(13-6-4-3-5-7-13)9-12(2)16(11)15-10-20-17(18)19-15/h2*3-10H,1-2H3,(H2,18,19)
InChIKeyUZFKCEQRKIRYFK-UHFFFAOYSA-N
MW560.79 g/mol
LogP9.35
Rot. Bonds4

About 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine

4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine (PubChem CID 161234714) has the molecular formula C34H32N4S2 and a molecular weight of 560.79 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine
PubChem CID161234714
Molecular FormulaC34H32N4S2
Molecular Weight560.79 g/mol
Exact Mass560.21
IUPAC Name4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1-c1csc(N)n1.Cc1cc(-c2ccccc2)cc(C)c1-c1csc(N)n1
InChIInChI=1S/2C17H16N2S/c2*1-11-8-14(13-6-4-3-5-7-13)9-12(2)16(11)15-10-20-17(18)19-15/h2*3-10H,1-2H3,(H2,18,19)
InChIKeyUZFKCEQRKIRYFK-UHFFFAOYSA-N
XLogP9.35
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.79
LogP ≤ 59.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 58442374
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine
CID 159452230
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylbenzoic acid
CID 155410143
N-[4-(2-amino-1,3-thiazol-4-yl)-3,5-dimethylphenyl]acetamide
CID 58442517
4-(3-anilinophenyl)-1,3-thiazol-2-amine
CID 155427302
4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-amine
CID 58442382
3-(2-amino-1,3-thiazol-4-yl)-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526108
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 166058003
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71457823

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine (CID 161234714) is 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine is Cc1cc(-c2ccccc2)cc(C)c1-c1csc(N)n1.Cc1cc(-c2ccccc2)cc(C)c1-c1csc(N)n1.
What is the InChIKey of 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine?
The InChIKey is UZFKCEQRKIRYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16N2S/c2*1-11-8-14(13-6-4-3-5-7-13)9-12(2)16(11)15-10-20-17(18)19-15/h2*3-10H,1-2H3,(H2,18,19).
What are the key properties of 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine?
4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine has a molecular weight of 560.79 g/mol, XLogP of 9.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-phenylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 161234714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).