N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine

C18H19F2N3OS — CID 59578872

IUPACN-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cc(F)c(-c2nc3scc(C)n3c2NC2CCCC2)c(F)c1
InChIInChI=1S/C18H19F2N3OS/c1-10-9-25-18-22-16(15-13(19)7-12(24-2)8-14(15)20)17(23(10)18)21-11-5-3-4-6-11/h7-9,11,21H,3-6H2,1-2H3
InChIKeyYPJBWRHJJNSEJU-UHFFFAOYSA-N
MW363.43 g/mol
LogP5.01
Rot. Bonds4

About N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine

N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 59578872) has the molecular formula C18H19F2N3OS and a molecular weight of 363.43 g/mol. Its IUPAC name is N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID59578872
Molecular FormulaC18H19F2N3OS
Molecular Weight363.43 g/mol
Exact Mass363.12
IUPAC NameN-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
SMILESCOc1cc(F)c(-c2nc3scc(C)n3c2NC2CCCC2)c(F)c1
InChIInChI=1S/C18H19F2N3OS/c1-10-9-25-18-22-16(15-13(19)7-12(24-2)8-14(15)20)17(23(10)18)21-11-5-3-4-6-11/h7-9,11,21H,3-6H2,1-2H3
InChIKeyYPJBWRHJJNSEJU-UHFFFAOYSA-N
XLogP5.01
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine (CID 59578872) is N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine is COc1cc(F)c(-c2nc3scc(C)n3c2NC2CCCC2)c(F)c1.
What is the InChIKey of N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is YPJBWRHJJNSEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3OS/c1-10-9-25-18-22-16(15-13(19)7-12(24-2)8-14(15)20)17(23(10)18)21-11-5-3-4-6-11/h7-9,11,21H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine?
N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 363.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(2,6-difluoro-4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 59578872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).