N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C18H26N2S — CID 81178307

IUPACN-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(CC(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H26N2S/c1-13(2)19-12-15-17(14-9-7-6-8-10-14)20-16(21-15)11-18(3,4)5/h6-10,13,19H,11-12H2,1-5H3
InChIKeyIIQPLMWNGGDCDM-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.90
Rot. Bonds5

About N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 81178307) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID81178307
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(CC(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H26N2S/c1-13(2)19-12-15-17(14-9-7-6-8-10-14)20-16(21-15)11-18(3,4)5/h6-10,13,19H,11-12H2,1-5H3
InChIKeyIIQPLMWNGGDCDM-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 81173870
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 154194483
N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782811
N-[(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 81178207
2-methyl-N-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62543216
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031
N-[[2-(ethoxymethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 81178540
N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402342
2-[2-(tert-butylsulfanylmethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 79782622
2-methyl-N-[2-(4-phenyl-2-propyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 79782920
[2-(3-methylbutyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81173380
N-[[2-(methylsulfonylmethyl)-4-phenyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 81174504

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 81178307) is N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(CC(C)(C)C)nc1-c1ccccc1.
What is the InChIKey of N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is IIQPLMWNGGDCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-13(2)19-12-15-17(14-9-7-6-8-10-14)20-16(21-15)11-18(3,4)5/h6-10,13,19H,11-12H2,1-5H3.
What are the key properties of N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 81178307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).