5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine

C17H25N5S — CID 174193026

IUPAC5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(CC2CN(Cc3cnc(N)s3)CCN2C)cc(C)n1
InChIInChI=1S/C17H25N5S/c1-12-6-14(7-13(2)20-12)8-15-10-22(5-4-21(15)3)11-16-9-19-17(18)23-16/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H2,18,19)
InChIKeySWRLDCJNTIGUCW-UHFFFAOYSA-N
MW331.49 g/mol
LogP2.10
Rot. Bonds4

About 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 174193026) has the molecular formula C17H25N5S and a molecular weight of 331.49 g/mol. Its IUPAC name is 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID174193026
Molecular FormulaC17H25N5S
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cc(CC2CN(Cc3cnc(N)s3)CCN2C)cc(C)n1
InChIInChI=1S/C17H25N5S/c1-12-6-14(7-13(2)20-12)8-15-10-22(5-4-21(15)3)11-16-9-19-17(18)23-16/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H2,18,19)
InChIKeySWRLDCJNTIGUCW-UHFFFAOYSA-N
XLogP2.10
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-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 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 174193026) is 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine is Cc1cc(CC2CN(Cc3cnc(N)s3)CCN2C)cc(C)n1.
What is the InChIKey of 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is SWRLDCJNTIGUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5S/c1-12-6-14(7-13(2)20-12)8-15-10-22(5-4-21(15)3)11-16-9-19-17(18)23-16/h6-7,9,15H,4-5,8,10-11H2,1-3H3,(H2,18,19).
What are the key properties of 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 331.49 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 174193026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).