2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde

C18H17F2N3OS — CID 89011495

IUPAC2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde
SMILESO=CCc1csc2nc(-c3c(F)cccc3F)c(NC3CCCC3)n12
InChIInChI=1S/C18H17F2N3OS/c19-13-6-3-7-14(20)15(13)16-17(21-11-4-1-2-5-11)23-12(8-9-24)10-25-18(23)22-16/h3,6-7,9-11,21H,1-2,4-5,8H2
InChIKeyWVHWAMQOHCLHPX-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.44
Rot. Bonds5

About 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde

2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde (PubChem CID 89011495) has the molecular formula C18H17F2N3OS and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde
PubChem CID89011495
Molecular FormulaC18H17F2N3OS
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde
SMILESO=CCc1csc2nc(-c3c(F)cccc3F)c(NC3CCCC3)n12
InChIInChI=1S/C18H17F2N3OS/c19-13-6-3-7-14(20)15(13)16-17(21-11-4-1-2-5-11)23-12(8-9-24)10-25-18(23)22-16/h3,6-7,9-11,21H,1-2,4-5,8H2
InChIKeyWVHWAMQOHCLHPX-UHFFFAOYSA-N
XLogP4.44
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde?
The IUPAC name of 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde (CID 89011495) is 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde.
What is the SMILES notation for 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde?
The canonical SMILES for 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde is O=CCc1csc2nc(-c3c(F)cccc3F)c(NC3CCCC3)n12.
What is the InChIKey of 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde?
The InChIKey is WVHWAMQOHCLHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3OS/c19-13-6-3-7-14(20)15(13)16-17(21-11-4-1-2-5-11)23-12(8-9-24)10-25-18(23)22-16/h3,6-7,9-11,21H,1-2,4-5,8H2.
What are the key properties of 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde?
2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde has a molecular weight of 361.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopentylamino)-6-(2,6-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetaldehyde is sourced from PubChem (CID 89011495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).