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

C15H20N4S — CID 103359786

IUPAC5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCC1CCC(Nc2snc(N)c2-c2cccnc2)C1C
InChIInChI=1S/C15H20N4S/c1-9-5-6-12(10(9)2)18-15-13(14(16)19-20-15)11-4-3-7-17-8-11/h3-4,7-10,12,18H,5-6H2,1-2H3,(H2,16,19)
InChIKeyICJKMCBMYYTWDT-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.63
Rot. Bonds3

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

5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103359786) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103359786
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCC1CCC(Nc2snc(N)c2-c2cccnc2)C1C
InChIInChI=1S/C15H20N4S/c1-9-5-6-12(10(9)2)18-15-13(14(16)19-20-15)11-4-3-7-17-8-11/h3-4,7-10,12,18H,5-6H2,1-2H3,(H2,16,19)
InChIKeyICJKMCBMYYTWDT-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(2-methyloxolan-3-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364915
5-N-(2,3-dimethylcyclohexyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382541
4-pyridin-3-yl-5-N-(2,2,3,3-tetramethylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103364408
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365325
5-N-(1,3-dimethylpiperidin-4-yl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103365712
4-pyridin-3-yl-5-N-(thiolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364491
5-N-(2-methyloxolan-3-yl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103383818
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361700
5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103365334
[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103359939
5-N-(oxan-3-ylmethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359235

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103359786) is 5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CC1CCC(Nc2snc(N)c2-c2cccnc2)C1C.
What is the InChIKey of 5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is ICJKMCBMYYTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-9-5-6-12(10(9)2)18-15-13(14(16)19-20-15)11-4-3-7-17-8-11/h3-4,7-10,12,18H,5-6H2,1-2H3,(H2,16,19).
What are the key properties of 5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).