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

C9H11N3S — CID 19361571

IUPACN-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cncc(CNC2=NCCS2)c1
InChIInChI=1S/C9H11N3S/c1-2-8(6-10-3-1)7-12-9-11-4-5-13-9/h1-3,6H,4-5,7H2,(H,11,12)
InChIKeyVBDMSARZKWIPJQ-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.27
Rot. Bonds2

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

N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 19361571) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID19361571
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC NameN-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1cncc(CNC2=NCCS2)c1
InChIInChI=1S/C9H11N3S/c1-2-8(6-10-3-1)7-12-9-11-4-5-13-9/h1-3,6H,4-5,7H2,(H,11,12)
InChIKeyVBDMSARZKWIPJQ-UHFFFAOYSA-N
XLogP1.27
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(pyridin-3-ylmethyl)-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

(3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide
CID 115224
Rivanicline
CID 5310967
3-Pyridinemethanamine
CID 31018
Thionicotinamide
CID 737155
3-(Methylaminomethyl)pyridine
CID 88393
Thiacloprid amide
CID 86222983
3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 9859386
Pyridine, 3-((methylthio)methyl)-
CID 3053474
3-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 238079
4-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 11159387
4-(4-pyridyl)-3H-thiazole-2-thione
CID 22392870
1-(Pyridin-3-ylmethyl)thiourea
CID 2826565

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 19361571) is N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is c1cncc(CNC2=NCCS2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VBDMSARZKWIPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-8(6-10-3-1)7-12-9-11-4-5-13-9/h1-3,6H,4-5,7H2,(H,11,12).
What are the key properties of N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 193.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 19361571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).