N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C16H17N3S — CID 114956902

IUPACN-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccncc1CNC1=NCC(c2ccccc2)S1
InChIInChI=1S/C16H17N3S/c1-12-7-8-17-9-14(12)10-18-16-19-11-15(20-16)13-5-3-2-4-6-13/h2-9,15H,10-11H2,1H3,(H,18,19)
InChIKeyGDNJOGZFKMBVFE-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.32
Rot. Bonds3

About N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114956902) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114956902
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccncc1CNC1=NCC(c2ccccc2)S1
InChIInChI=1S/C16H17N3S/c1-12-7-8-17-9-14(12)10-18-16-19-11-15(20-16)13-5-3-2-4-6-13/h2-9,15H,10-11H2,1H3,(H,18,19)
InChIKeyGDNJOGZFKMBVFE-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-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-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956895
N-[(4-methyl-3-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114956905
5-phenyl-N-(1-pyridin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43524207
N-[(3-bromophenyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61410146
N-(2-methylsulfinylethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113480227
N-(2-ethoxyethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43591372
N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 114701228
5-(2,2-dimethylpropyl)-N-[(3-methyl-4-pyridinyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 107154847
2-chloro-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114075281
N-pentan-3-yl-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439586
N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113467323
N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 91611248

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 114956902) is N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccncc1CNC1=NCC(c2ccccc2)S1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is GDNJOGZFKMBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12-7-8-17-9-14(12)10-18-16-19-11-15(20-16)13-5-3-2-4-6-13/h2-9,15H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114956902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).