(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine

C16H22N2S — CID 114985501

IUPAC(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1csc(C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-12(13-8-6-5-7-9-13)17-10-14-11-19-15(18-14)16(2,3)4/h5-9,11-12,17H,10H2,1-4H3/t12-/m0/s1
InChIKeyLNQPMKCYCKHSSO-LBPRGKRZSA-N
MW274.43 g/mol
LogP4.29
Rot. Bonds4

About (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine

(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine (PubChem CID 114985501) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
PubChem CID114985501
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine
SMILESC[C@H](NCc1csc(C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C16H22N2S/c1-12(13-8-6-5-7-9-13)17-10-14-11-19-15(18-14)16(2,3)4/h5-9,11-12,17H,10H2,1-4H3/t12-/m0/s1
InChIKeyLNQPMKCYCKHSSO-LBPRGKRZSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 104862911
(1S)-1-(3-bromophenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104862921
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 115592159
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 115591923
4-[(1-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 82475637
1-(3-bromo-4-methoxyphenyl)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 86843042
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-methylpentan-2-amine
CID 115715580
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639877
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
CID 62366190
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine (CID 114985501) is (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine is C[C@H](NCc1csc(C(C)(C)C)n1)c1ccccc1.
What is the InChIKey of (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine?
The InChIKey is LNQPMKCYCKHSSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12(13-8-6-5-7-9-13)17-10-14-11-19-15(18-14)16(2,3)4/h5-9,11-12,17H,10H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine?
(1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine has a molecular weight of 274.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 114985501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).