2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

C19H27N3O2S — CID 22335589

IUPAC2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(C3CCCCC3)c(NC3CCCCC3)n12
InChIInChI=1S/C19H27N3O2S/c23-16(24)11-15-12-25-19-21-17(13-7-3-1-4-8-13)18(22(15)19)20-14-9-5-2-6-10-14/h12-14,20H,1-11H2,(H,23,24)
InChIKeyRGSQRYHTBPGBNU-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.82
Rot. Bonds5

About 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid

2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (PubChem CID 22335589) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
PubChem CID22335589
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
SMILESO=C(O)Cc1csc2nc(C3CCCCC3)c(NC3CCCCC3)n12
InChIInChI=1S/C19H27N3O2S/c23-16(24)11-15-12-25-19-21-17(13-7-3-1-4-8-13)18(22(15)19)20-14-9-5-2-6-10-14/h12-14,20H,1-11H2,(H,23,24)
InChIKeyRGSQRYHTBPGBNU-UHFFFAOYSA-N
XLogP4.82
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The IUPAC name of 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid (CID 22335589) is 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is O=C(O)Cc1csc2nc(C3CCCCC3)c(NC3CCCCC3)n12.
What is the InChIKey of 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
The InChIKey is RGSQRYHTBPGBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-16(24)11-15-12-25-19-21-17(13-7-3-1-4-8-13)18(22(15)19)20-14-9-5-2-6-10-14/h12-14,20H,1-11H2,(H,23,24).
What are the key properties of 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid?
2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid has a molecular weight of 361.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclohexyl-5-(cyclohexylamino)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid is sourced from PubChem (CID 22335589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).