6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine

C17H18ClN3S — CID 59579021

IUPAC6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1csc2nc(-c3ccccc3Cl)c(NC3CCCC3)n12
InChIInChI=1S/C17H18ClN3S/c1-11-10-22-17-20-15(13-8-4-5-9-14(13)18)16(21(11)17)19-12-6-2-3-7-12/h4-5,8-10,12,19H,2-3,6-7H2,1H3
InChIKeyVFNRYFZLPJEADV-UHFFFAOYSA-N
MW331.87 g/mol
LogP5.38
Rot. Bonds3

About 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine

6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59579021) has the molecular formula C17H18ClN3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59579021
Molecular FormulaC17H18ClN3S
Molecular Weight331.87 g/mol
Exact Mass331.09
IUPAC Name6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1csc2nc(-c3ccccc3Cl)c(NC3CCCC3)n12
InChIInChI=1S/C17H18ClN3S/c1-11-10-22-17-20-15(13-8-4-5-9-14(13)18)16(21(11)17)19-12-6-2-3-7-12/h4-5,8-10,12,19H,2-3,6-7H2,1H3
InChIKeyVFNRYFZLPJEADV-UHFFFAOYSA-N
XLogP5.38
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.87
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59579021) is 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1csc2nc(-c3ccccc3Cl)c(NC3CCCC3)n12.
What is the InChIKey of 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is VFNRYFZLPJEADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3S/c1-11-10-22-17-20-15(13-8-4-5-9-14(13)18)16(21(11)17)19-12-6-2-3-7-12/h4-5,8-10,12,19H,2-3,6-7H2,1H3.
What are the key properties of 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 331.87 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-cyclopentyl-3-methylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59579021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).