5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

C15H20N4S — CID 103360432

IUPAC5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCCN(c1snc(N)c1-c1cccnc1)C1CCCC1
InChIInChI=1S/C15H20N4S/c1-2-19(12-7-3-4-8-12)15-13(14(16)18-20-15)11-6-5-9-17-10-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,16,18)
InChIKeyYMALJHSKFJOLHM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.56
Rot. Bonds4

About 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine

5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103360432) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103360432
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESCCN(c1snc(N)c1-c1cccnc1)C1CCCC1
InChIInChI=1S/C15H20N4S/c1-2-19(12-7-3-4-8-12)15-13(14(16)18-20-15)11-6-5-9-17-10-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,16,18)
InChIKeyYMALJHSKFJOLHM-UHFFFAOYSA-N
XLogP3.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361291
5-N,5-N-diethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103362105
5-N-(cyclohexylmethyl)-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361808
5-N-methyl-5-N-(3-methylbutan-2-yl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360550
5-N-(cyclobutylmethyl)-5-N-ethyl-4-phenyl-1,2-thiazole-3,5-diamine
CID 107403288
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361622
5-N-propan-2-yl-4-pyridin-3-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360693
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361700
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103360759
5-N-[(4-bromothiophen-2-yl)methyl]-5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361301
5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359786
[2-[[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 103359939

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103360432) is 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is CCN(c1snc(N)c1-c1cccnc1)C1CCCC1.
What is the InChIKey of 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is YMALJHSKFJOLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-19(12-7-3-4-8-12)15-13(14(16)18-20-15)11-6-5-9-17-10-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,16,18).
What are the key properties of 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopentyl-5-N-ethyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).