5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C16H17N3S — CID 43524207

IUPAC5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCC(c2ccccc2)S1)c1ccncc1
InChIInChI=1S/C16H17N3S/c1-12(13-7-9-17-10-8-13)19-16-18-11-15(20-16)14-5-3-2-4-6-14/h2-10,12,15H,11H2,1H3,(H,18,19)
InChIKeyNVCPSXXFQZSUNF-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.58
Rot. Bonds3

About 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43524207) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43524207
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(NC1=NCC(c2ccccc2)S1)c1ccncc1
InChIInChI=1S/C16H17N3S/c1-12(13-7-9-17-10-8-13)19-16-18-11-15(20-16)14-5-3-2-4-6-14/h2-10,12,15H,11H2,1H3,(H,18,19)
InChIKeyNVCPSXXFQZSUNF-UHFFFAOYSA-N
XLogP3.58
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-N-(1-phenylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 62304214
5-methyl-N-(1-pyridin-4-ylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035697
N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113467323
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 62993062
N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43591372
N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113480227
N-[(3-bromophenyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61410146
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
5-propyl-N-(1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 113495972
N-(3-ethylphenyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43385646
2-[(dimethylamino)methyl]-N-(1-pyridin-4-ylethyl)aniline
CID 43750176
N-[(1S)-1-pyridin-4-ylethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81406115

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43524207) is 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(NC1=NCC(c2ccccc2)S1)c1ccncc1.
What is the InChIKey of 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NVCPSXXFQZSUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12(13-7-9-17-10-8-13)19-16-18-11-15(20-16)14-5-3-2-4-6-14/h2-10,12,15H,11H2,1H3,(H,18,19).
What are the key properties of 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43524207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).