1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

C18H26N2S — CID 61337689

IUPAC1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)c1ccc(-c2csc(C(N)C(C)(C)C)n2)cc1
InChIInChI=1S/C18H26N2S/c1-17(2,3)13-9-7-12(8-10-13)14-11-21-16(20-14)15(19)18(4,5)6/h7-11,15H,19H2,1-6H3
InChIKeyFJPBRKFCLWYPRI-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.15
Rot. Bonds2

About 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (PubChem CID 61337689) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
PubChem CID61337689
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)c1ccc(-c2csc(C(N)C(C)(C)C)n2)cc1
InChIInChI=1S/C18H26N2S/c1-17(2,3)13-9-7-12(8-10-13)14-11-21-16(20-14)15(19)18(4,5)6/h7-11,15H,19H2,1-6H3
InChIKeyFJPBRKFCLWYPRI-UHFFFAOYSA-N
XLogP5.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 61338857
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 55130311
1-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61336911
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61339037
2-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]guanidine
CID 24938739
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
CID 55183999
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337489
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3686493
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 3254844
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 61338979
N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
CID 4653684

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (CID 61337689) is 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)c1ccc(-c2csc(C(N)C(C)(C)C)n2)cc1.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is FJPBRKFCLWYPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-17(2,3)13-9-7-12(8-10-13)14-11-21-16(20-14)15(19)18(4,5)6/h7-11,15H,19H2,1-6H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 302.49 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61337689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).