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

C15H20N4OS — CID 103361700

IUPAC5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCOC2CCCC2)c1-c1cccnc1
InChIInChI=1S/C15H20N4OS/c16-14-13(11-4-3-7-17-10-11)15(21-19-14)18-8-9-20-12-5-1-2-6-12/h3-4,7,10,12,18H,1-2,5-6,8-9H2,(H2,16,19)
InChIKeyRBDQOLHHMZSVTC-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.16
Rot. Bonds6

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

5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (PubChem CID 103361700) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
PubChem CID103361700
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCOC2CCCC2)c1-c1cccnc1
InChIInChI=1S/C15H20N4OS/c16-14-13(11-4-3-7-17-10-11)15(21-19-14)18-8-9-20-12-5-1-2-6-12/h3-4,7,10,12,18H,1-2,5-6,8-9H2,(H2,16,19)
InChIKeyRBDQOLHHMZSVTC-UHFFFAOYSA-N
XLogP3.16
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-3-yl-5-N-(thian-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103365325
5-[(3-amino-4-pyridin-3-yl-1,2-thiazol-5-yl)amino]pentan-1-ol
CID 107324546
4-pyridin-3-yl-5-N-(thiolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364491
4-pyridin-3-yl-5-N-(2-pyridin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 103364167
[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
5-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103364597
5-N-methyl-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103363370
5-N-(2,3-dimethylcyclopentyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359786
5-N-[(2-bromophenyl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103359536
5-N-(cyclohexylmethyl)-4-phenyl-1,2-thiazole-3,5-diamine
CID 103382843
5-N-(1-ethylcyclobutyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103365334

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine (CID 103361700) is 5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is Nc1nsc(NCCOC2CCCC2)c1-c1cccnc1.
What is the InChIKey of 5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
The InChIKey is RBDQOLHHMZSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c16-14-13(11-4-3-7-17-10-11)15(21-19-14)18-8-9-20-12-5-1-2-6-12/h3-4,7,10,12,18H,1-2,5-6,8-9H2,(H2,16,19).
What are the key properties of 5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine?
5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine has a molecular weight of 304.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-cyclopentyloxyethyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).