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

C15H20N4S — CID 103365630

IUPAC5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCC1(C)CCC(Nc2snc(N)c2-c2ccncc2)C1
InChIInChI=1S/C15H20N4S/c1-15(2)6-3-11(9-15)18-14-12(13(16)19-20-14)10-4-7-17-8-5-10/h4-5,7-8,11,18H,3,6,9H2,1-2H3,(H2,16,19)
InChIKeyIDWBHDHJEPPNDQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.78
Rot. Bonds3

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

5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (PubChem CID 103365630) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
PubChem CID103365630
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
SMILESCC1(C)CCC(Nc2snc(N)c2-c2ccncc2)C1
InChIInChI=1S/C15H20N4S/c1-15(2)6-3-11(9-15)18-14-12(13(16)19-20-14)10-4-7-17-8-5-10/h4-5,7-8,11,18H,3,6,9H2,1-2H3,(H2,16,19)
InChIKeyIDWBHDHJEPPNDQ-UHFFFAOYSA-N
XLogP3.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine (CID 103365630) is 5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is CC1(C)CCC(Nc2snc(N)c2-c2ccncc2)C1.
What is the InChIKey of 5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
The InChIKey is IDWBHDHJEPPNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-15(2)6-3-11(9-15)18-14-12(13(16)19-20-14)10-4-7-17-8-5-10/h4-5,7-8,11,18H,3,6,9H2,1-2H3,(H2,16,19).
What are the key properties of 5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine?
5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3-dimethylcyclopentyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).