6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine

C16H25N5OS — CID 156570695

IUPAC6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine
SMILESCC1=CN(C)C(Nc2cc(OC3CCN(C)CC3)cc(N)n2)S1
InChIInChI=1S/C16H25N5OS/c1-11-10-21(3)16(23-11)19-15-9-13(8-14(17)18-15)22-12-4-6-20(2)7-5-12/h8-10,12,16H,4-7H2,1-3H3,(H3,17,18,19)
InChIKeyCRMMPPHHFCAVST-UHFFFAOYSA-N
MW335.48 g/mol
LogP2.37
Rot. Bonds4

About 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine

6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine (PubChem CID 156570695) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine
PubChem CID156570695
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine
SMILESCC1=CN(C)C(Nc2cc(OC3CCN(C)CC3)cc(N)n2)S1
InChIInChI=1S/C16H25N5OS/c1-11-10-21(3)16(23-11)19-15-9-13(8-14(17)18-15)22-12-4-6-20(2)7-5-12/h8-10,12,16H,4-7H2,1-3H3,(H3,17,18,19)
InChIKeyCRMMPPHHFCAVST-UHFFFAOYSA-N
XLogP2.37
TPSA66.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine?
The IUPAC name of 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine (CID 156570695) is 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine?
The canonical SMILES for 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine is CC1=CN(C)C(Nc2cc(OC3CCN(C)CC3)cc(N)n2)S1.
What is the InChIKey of 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine?
The InChIKey is CRMMPPHHFCAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-11-10-21(3)16(23-11)19-15-9-13(8-14(17)18-15)22-12-4-6-20(2)7-5-12/h8-10,12,16H,4-7H2,1-3H3,(H3,17,18,19).
What are the key properties of 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine?
6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine has a molecular weight of 335.48 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,5-dimethyl-2H-1,3-thiazol-2-yl)-4-(1-methylpiperidin-4-yl)oxypyridine-2,6-diamine is sourced from PubChem (CID 156570695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).