N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide

C26H21N3O2S — CID 22585258

IUPACN-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCc1c(-c2ccccc2)nc2n1CCS2)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H21N3O2S/c30-25(23-18-10-4-6-12-21(18)31-22-13-7-5-11-19(22)23)27-16-20-24(17-8-2-1-3-9-17)28-26-29(20)14-15-32-26/h1-13,23H,14-16H2,(H,27,30)
InChIKeyMRZZRSWKGMEOJB-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.21
Rot. Bonds4

About N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide

N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide (PubChem CID 22585258) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide
PubChem CID22585258
Molecular FormulaC26H21N3O2S
Molecular Weight439.54 g/mol
Exact Mass439.14
IUPAC NameN-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCc1c(-c2ccccc2)nc2n1CCS2)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H21N3O2S/c30-25(23-18-10-4-6-12-21(18)31-22-13-7-5-11-19(22)23)27-16-20-24(17-8-2-1-3-9-17)28-26-29(20)14-15-32-26/h1-13,23H,14-16H2,(H,27,30)
InChIKeyMRZZRSWKGMEOJB-UHFFFAOYSA-N
XLogP5.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide (CID 22585258) is N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide is O=C(NCc1c(-c2ccccc2)nc2n1CCS2)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide?
The InChIKey is MRZZRSWKGMEOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c30-25(23-18-10-4-6-12-21(18)31-22-13-7-5-11-19(22)23)27-16-20-24(17-8-2-1-3-9-17)28-26-29(20)14-15-32-26/h1-13,23H,14-16H2,(H,27,30).
What are the key properties of N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide?
N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 22585258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).