N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine

C16H17N7S — CID 95823829

IUPACN-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESc1cnc(N2CCC(c3csc(Nc4cnccn4)n3)CC2)nc1
InChIInChI=1S/C16H17N7S/c1-4-19-15(20-5-1)23-8-2-12(3-9-23)13-11-24-16(21-13)22-14-10-17-6-7-18-14/h1,4-7,10-12H,2-3,8-9H2,(H,18,21,22)
InChIKeyDMXGLLYMIZFSQU-UHFFFAOYSA-N
MW339.43 g/mol
LogP2.85
Rot. Bonds4

About N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine

N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 95823829) has the molecular formula C16H17N7S and a molecular weight of 339.43 g/mol. Its IUPAC name is N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine
PubChem CID95823829
Molecular FormulaC16H17N7S
Molecular Weight339.43 g/mol
Exact Mass339.13
IUPAC NameN-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine
SMILESc1cnc(N2CCC(c3csc(Nc4cnccn4)n3)CC2)nc1
InChIInChI=1S/C16H17N7S/c1-4-19-15(20-5-1)23-8-2-12(3-9-23)13-11-24-16(21-13)22-14-10-17-6-7-18-14/h1,4-7,10-12H,2-3,8-9H2,(H,18,21,22)
InChIKeyDMXGLLYMIZFSQU-UHFFFAOYSA-N
XLogP2.85
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine (CID 95823829) is N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine is c1cnc(N2CCC(c3csc(Nc4cnccn4)n3)CC2)nc1.
What is the InChIKey of N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is DMXGLLYMIZFSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7S/c1-4-19-15(20-5-1)23-8-2-12(3-9-23)13-11-24-16(21-13)22-14-10-17-6-7-18-14/h1,4-7,10-12H,2-3,8-9H2,(H,18,21,22).
What are the key properties of N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine?
N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 339.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 95823829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).