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

C14H18N2S — CID 82479628

IUPAC[3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2cc(CN)sn2)cc1
InChIInChI=1S/C14H18N2S/c1-14(2,3)11-6-4-10(5-7-11)13-8-12(9-15)17-16-13/h4-8H,9,15H2,1-3H3
InChIKeyFQSTWSJVWOCIDH-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.57
Rot. Bonds2

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

[3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine (PubChem CID 82479628) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is [3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine
PubChem CID82479628
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name[3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine
SMILESCC(C)(C)c1ccc(-c2cc(CN)sn2)cc1
InChIInChI=1S/C14H18N2S/c1-14(2,3)11-6-4-10(5-7-11)13-8-12(9-15)17-16-13/h4-8H,9,15H2,1-3H3
InChIKeyFQSTWSJVWOCIDH-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-ethylphenyl)-1,2-thiazol-5-yl]ethanamine
CID 82475374
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
CID 158829270
[4-(4-tert-butylphenyl)-3-pyridinyl]methanamine
CID 82387749
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
CID 106878479
[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine
CID 82293093
[3-(7-methoxynaphthalen-1-yl)-1,2-thiazol-5-yl]methanamine
CID 115506395
3-[3-(4-methylphenyl)-1,2-thiazol-5-yl]propanoic acid
CID 82479922
[4-(4-tert-butylphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 28709653
6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine
CID 80935518
(5-tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine?
The IUPAC name of [3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine (CID 82479628) is [3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine?
The canonical SMILES for [3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine is CC(C)(C)c1ccc(-c2cc(CN)sn2)cc1.
What is the InChIKey of [3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine?
The InChIKey is FQSTWSJVWOCIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-14(2,3)11-6-4-10(5-7-11)13-8-12(9-15)17-16-13/h4-8H,9,15H2,1-3H3.
What are the key properties of [3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine?
[3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylphenyl)-1,2-thiazol-5-yl]methanamine is sourced from PubChem (CID 82479628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).