[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine

C15H20N2S — CID 28709653

IUPAC[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)c(CN)s1
InChIInChI=1S/C15H20N2S/c1-10-17-14(13(9-16)18-10)11-5-7-12(8-6-11)15(2,3)4/h5-8H,9,16H2,1-4H3
InChIKeySMVHVHKJFDGCEM-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.87
Rot. Bonds2

About [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine

[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 28709653) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID28709653
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(C(C)(C)C)cc2)c(CN)s1
InChIInChI=1S/C15H20N2S/c1-10-17-14(13(9-16)18-10)11-5-7-12(8-6-11)15(2,3)4/h5-8H,9,16H2,1-4H3
InChIKeySMVHVHKJFDGCEM-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine
CID 39373614
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651
2,5-bis(4-tert-butylphenyl)-3,6-dimethylpyrazine
CID 143714645
[4-(4-tert-butylphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131867614
5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole
CID 28710033
4-(4-tert-butyl-2-methylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82484831
4-(5-tert-butyl-2-methylphenyl)-2-methyl-1,3-thiazol-5-amine
CID 82484825
4-(3,4-dimethylphenyl)-2-methyl-5-propyl-1,3-thiazole
CID 5020924
4-[5-[4-(2-hydroxypropan-2-yl)phenyl]-2-methyl-1,3-thiazol-4-yl]benzenesulfonamide
CID 20658583
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465
[4-(2,5-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709843

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine (CID 28709653) is [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine is Cc1nc(-c2ccc(C(C)(C)C)cc2)c(CN)s1.
What is the InChIKey of [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is SMVHVHKJFDGCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-17-14(13(9-16)18-10)11-5-7-12(8-6-11)15(2,3)4/h5-8H,9,16H2,1-4H3.
What are the key properties of [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine?
[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 28709653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).