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

C18H19F2N3S — CID 59579223

IUPACN-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1sc2nc(-c3c(F)cccc3F)c(NC3CCCC3)n2c1C
InChIInChI=1S/C18H19F2N3S/c1-10-11(2)24-18-22-16(15-13(19)8-5-9-14(15)20)17(23(10)18)21-12-6-3-4-7-12/h5,8-9,12,21H,3-4,6-7H2,1-2H3
InChIKeyVMKZMXIXNXVUCX-UHFFFAOYSA-N
MW347.43 g/mol
LogP5.31
Rot. Bonds3

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

N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59579223) has the molecular formula C18H19F2N3S and a molecular weight of 347.43 g/mol. Its IUPAC name is N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59579223
Molecular FormulaC18H19F2N3S
Molecular Weight347.43 g/mol
Exact Mass347.13
IUPAC NameN-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCc1sc2nc(-c3c(F)cccc3F)c(NC3CCCC3)n2c1C
InChIInChI=1S/C18H19F2N3S/c1-10-11(2)24-18-22-16(15-13(19)8-5-9-14(15)20)17(23(10)18)21-12-6-3-4-7-12/h5,8-9,12,21H,3-4,6-7H2,1-2H3
InChIKeyVMKZMXIXNXVUCX-UHFFFAOYSA-N
XLogP5.31
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59579223) is N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is Cc1sc2nc(-c3c(F)cccc3F)c(NC3CCCC3)n2c1C.
What is the InChIKey of N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is VMKZMXIXNXVUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3S/c1-10-11(2)24-18-22-16(15-13(19)8-5-9-14(15)20)17(23(10)18)21-12-6-3-4-7-12/h5,8-9,12,21H,3-4,6-7H2,1-2H3.
What are the key properties of N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine?
N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 347.43 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(2,6-difluorophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59579223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).