5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

C15H21N5S — CID 103365712

IUPAC5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCC1CN(C)CCC1Nc1snc(N)c1-c1ccncc1
InChIInChI=1S/C15H21N5S/c1-10-9-20(2)8-5-12(10)18-15-13(14(16)19-21-15)11-3-6-17-7-4-11/h3-4,6-7,10,12,18H,5,8-9H2,1-2H3,(H2,16,19)
InChIKeyJRDLUMMMQFNGKM-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.54
Rot. Bonds3

About 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine

5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (PubChem CID 103365712) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
PubChem CID103365712
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCC1CN(C)CCC1Nc1snc(N)c1-c1ccncc1
InChIInChI=1S/C15H21N5S/c1-10-9-20(2)8-5-12(10)18-15-13(14(16)19-21-15)11-3-6-17-7-4-11/h3-4,6-7,10,12,18H,5,8-9H2,1-2H3,(H2,16,19)
InChIKeyJRDLUMMMQFNGKM-UHFFFAOYSA-N
XLogP2.54
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (CID 103365712) is 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is CC1CN(C)CCC1Nc1snc(N)c1-c1ccncc1.
What is the InChIKey of 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The InChIKey is JRDLUMMMQFNGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-9-20(2)8-5-12(10)18-15-13(14(16)19-21-15)11-3-6-17-7-4-11/h3-4,6-7,10,12,18H,5,8-9H2,1-2H3,(H2,16,19).
What are the key properties of 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine has a molecular weight of 303.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).