6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine

C13H17N5S — CID 112640956

IUPAC6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(Cc3cncs3)CC2)nc1
InChIInChI=1S/C13H17N5S/c14-11-1-2-13(16-7-11)18-5-3-17(4-6-18)9-12-8-15-10-19-12/h1-2,7-8,10H,3-6,9,14H2
InChIKeyVGRCSLMCMXTIFU-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.44
Rot. Bonds3

About 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine

6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine (PubChem CID 112640956) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
PubChem CID112640956
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
SMILESNc1ccc(N2CCN(Cc3cncs3)CC2)nc1
InChIInChI=1S/C13H17N5S/c14-11-1-2-13(16-7-11)18-5-3-17(4-6-18)9-12-8-15-10-19-12/h1-2,7-8,10H,3-6,9,14H2
InChIKeyVGRCSLMCMXTIFU-UHFFFAOYSA-N
XLogP1.44
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-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

5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 9161682
6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519428
2-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanethioamide
CID 112640582
2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 112640977
6-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]pyridin-3-amine
CID 116522204
6-[4-(1,3-benzodioxol-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519518
6-[4-[(2,3-difluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-amine
CID 67519532
6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 43591958
6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridin-3-amine
CID 60892817
ethyl 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]acetate
CID 43462036
6-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]pyridin-3-amine
CID 82840203

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine (CID 112640956) is 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine is Nc1ccc(N2CCN(Cc3cncs3)CC2)nc1.
What is the InChIKey of 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine?
The InChIKey is VGRCSLMCMXTIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c14-11-1-2-13(16-7-11)18-5-3-17(4-6-18)9-12-8-15-10-19-12/h1-2,7-8,10H,3-6,9,14H2.
What are the key properties of 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine?
6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine has a molecular weight of 275.38 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 112640956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).