2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline

C18H18N2S — CID 63447079

IUPAC2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
SMILESCC(C)c1ccc(-c2nc(-c3ccccc3N)cs2)cc1
InChIInChI=1S/C18H18N2S/c1-12(2)13-7-9-14(10-8-13)18-20-17(11-21-18)15-5-3-4-6-16(15)19/h3-12H,19H2,1-2H3
InChIKeyZHHZZDYLYMXBFA-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.18
Rot. Bonds3

About 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline

2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline (PubChem CID 63447079) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
PubChem CID63447079
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline
SMILESCC(C)c1ccc(-c2nc(-c3ccccc3N)cs2)cc1
InChIInChI=1S/C18H18N2S/c1-12(2)13-7-9-14(10-8-13)18-20-17(11-21-18)15-5-3-4-6-16(15)19/h3-12H,19H2,1-2H3
InChIKeyZHHZZDYLYMXBFA-UHFFFAOYSA-N
XLogP5.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]aniline
CID 61268827
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900
4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907532
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667839
N-[3-acetamido-4-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9421199
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
2-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331131
2-[2-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-4-yl]aniline
CID 66066798

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline (CID 63447079) is 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline is CC(C)c1ccc(-c2nc(-c3ccccc3N)cs2)cc1.
What is the InChIKey of 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is ZHHZZDYLYMXBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-12(2)13-7-9-14(10-8-13)18-20-17(11-21-18)15-5-3-4-6-16(15)19/h3-12H,19H2,1-2H3.
What are the key properties of 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline?
2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 294.42 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 63447079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).