N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide

C22H17N3OS — CID 121148254

IUPACN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccc2ccccc2c1
InChIInChI=1S/C22H17N3OS/c26-21(17-10-9-15-5-1-2-6-16(15)13-17)23-19-8-4-3-7-18(19)20-14-25-11-12-27-22(25)24-20/h1-10,13-14H,11-12H2,(H,23,26)
InChIKeyFCQMNSWHYYPEMR-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.06
Rot. Bonds3

About N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 121148254) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
PubChem CID121148254
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC NameN-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccc2ccccc2c1
InChIInChI=1S/C22H17N3OS/c26-21(17-10-9-15-5-1-2-6-16(15)13-17)23-19-8-4-3-7-18(19)20-14-25-11-12-27-22(25)24-20/h1-10,13-14H,11-12H2,(H,23,26)
InChIKeyFCQMNSWHYYPEMR-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide (CID 121148254) is N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide is O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is FCQMNSWHYYPEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-21(17-10-9-15-5-1-2-6-16(15)13-17)23-19-8-4-3-7-18(19)20-14-25-11-12-27-22(25)24-20/h1-10,13-14H,11-12H2,(H,23,26).
What are the key properties of N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide?
N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 121148254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).