N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

C18H26N2S — CID 81178207

IUPACN-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1sc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H26N2S/c1-17(2,3)16-20-15(13-10-8-7-9-11-13)14(21-16)12-19-18(4,5)6/h7-11,19H,12H2,1-6H3
InChIKeyTXENDLRQLYUTNF-UHFFFAOYSA-N
MW302.49 g/mol
LogP5.00
Rot. Bonds3

About N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 81178207) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID81178207
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1sc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H26N2S/c1-17(2,3)16-20-15(13-10-8-7-9-11-13)14(21-16)12-19-18(4,5)6/h7-11,19H,12H2,1-6H3
InChIKeyTXENDLRQLYUTNF-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (CID 81178207) is N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1sc(C(C)(C)C)nc1-c1ccccc1.
What is the InChIKey of N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is TXENDLRQLYUTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-17(2,3)16-20-15(13-10-8-7-9-11-13)14(21-16)12-19-18(4,5)6/h7-11,19H,12H2,1-6H3.
What are the key properties of N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81178207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).