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

C16H17N3S — CID 24946569

IUPACN-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(CC(NC2=NCCS2)c2cccnc2)cc1
InChIInChI=1S/C16H17N3S/c1-2-5-13(6-3-1)11-15(14-7-4-8-17-12-14)19-16-18-9-10-20-16/h1-8,12,15H,9-11H2,(H,18,19)
InChIKeyPORLBVOUFWCDIV-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.06
Rot. Bonds4

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

N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 24946569) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID24946569
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(CC(NC2=NCCS2)c2cccnc2)cc1
InChIInChI=1S/C16H17N3S/c1-2-5-13(6-3-1)11-15(14-7-4-8-17-12-14)19-16-18-9-10-20-16/h1-8,12,15H,9-11H2,(H,18,19)
InChIKeyPORLBVOUFWCDIV-UHFFFAOYSA-N
XLogP3.06
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-(2,3-dihydropyridin-4-yl)-1-phenylethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 143835707
N-[2-(2-methoxyphenyl)-2-pyridin-3-ylethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 68628785
3-[2-(3-chlorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzamide
CID 176560030
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 5169811
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
2-(4-iodophenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 65477287
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
4-phenyl-2-pyridin-3-ylbutane-1,3-diamine
CID 20848340
1,2-dipyridin-3-ylethylthiourea
CID 20980032

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 24946569) is N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is c1ccc(CC(NC2=NCCS2)c2cccnc2)cc1.
What is the InChIKey of N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PORLBVOUFWCDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-5-13(6-3-1)11-15(14-7-4-8-17-12-14)19-16-18-9-10-20-16/h1-8,12,15H,9-11H2,(H,18,19).
What are the key properties of N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1-pyridin-3-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 24946569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).