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

C19H20N2S — CID 154194483

IUPACN-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H20N2S/c1-14(2)20-13-17-21-18(15-9-5-3-6-10-15)19(22-17)16-11-7-4-8-12-16/h3-12,14,20H,13H2,1-2H3
InChIKeyOICRSQAQLRTQIV-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.98
Rot. Bonds5

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

N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 154194483) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID154194483
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC NameN-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C19H20N2S/c1-14(2)20-13-17-21-18(15-9-5-3-6-10-15)19(22-17)16-11-7-4-8-12-16/h3-12,14,20H,13H2,1-2H3
InChIKeyOICRSQAQLRTQIV-UHFFFAOYSA-N
XLogP4.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62543017
N-[[2-(2,2-dimethylpropyl)-4-phenyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81178307
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 64715193
N-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 81173870
N-[[2-(2-ethoxyethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 106815408
N-[(5-phenyl-2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 64714989
2-ethyl-5-phenyl-4-pyridin-3-yl-1,3-thiazole
CID 22993797
N-[(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 64715821
2-methyl-N-[(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62543216
(5-phenyl-4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 83850515
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
N-[(4-methyl-5-phenylthiophen-3-yl)methyl]propan-2-amine
CID 114748967

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 154194483) is N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine is CC(C)NCc1nc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is OICRSQAQLRTQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-14(2)20-13-17-21-18(15-9-5-3-6-10-15)19(22-17)16-11-7-4-8-12-16/h3-12,14,20H,13H2,1-2H3.
What are the key properties of N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 308.45 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 154194483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).