2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine

C14H20N2S2 — CID 105016076

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2nc(C(C)(C)C)cs2)s1
InChIInChI=1S/C14H20N2S2/c1-9-5-6-11(18-9)10(15)7-13-16-12(8-17-13)14(2,3)4/h5-6,8,10H,7,15H2,1-4H3
InChIKeyNRDGNQNUFNBLMU-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.05
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 105016076) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID105016076
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(N)Cc2nc(C(C)(C)C)cs2)s1
InChIInChI=1S/C14H20N2S2/c1-9-5-6-11(18-9)10(15)7-13-16-12(8-17-13)14(2,3)4/h5-6,8,10H,7,15H2,1-4H3
InChIKeyNRDGNQNUFNBLMU-UHFFFAOYSA-N
XLogP4.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 105016050
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105016072
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 61347758
1-(2-bromofuran-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 106858230
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105169573
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 61345199
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
1-(2-bromo-3,4-difluorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 107538587

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine (CID 105016076) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(N)Cc2nc(C(C)(C)C)cs2)s1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is NRDGNQNUFNBLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-9-5-6-11(18-9)10(15)7-13-16-12(8-17-13)14(2,3)4/h5-6,8,10H,7,15H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 280.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105016076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).