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

C25H21N3O2S — CID 41427114

IUPAC2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1
InChIInChI=1S/C25H21N3O2S/c1-3-30-22-12-11-17-7-4-5-10-20(17)23(22)24(29)26-19-9-6-8-18(13-19)21-14-28-16(2)15-31-25(28)27-21/h4-15H,3H2,1-2H3,(H,26,29)
InChIKeyMAUQHALMQKZCHX-UHFFFAOYSA-N
MW427.53 g/mol
LogP6.18
Rot. Bonds5

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

2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 41427114) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
PubChem CID41427114
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC Name2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1
InChIInChI=1S/C25H21N3O2S/c1-3-30-22-12-11-17-7-4-5-10-20(17)23(22)24(29)26-19-9-6-8-18(13-19)21-14-28-16(2)15-31-25(28)27-21/h4-15H,3H2,1-2H3,(H,26,29)
InChIKeyMAUQHALMQKZCHX-UHFFFAOYSA-N
XLogP6.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
CID 40691824
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 43936475
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]propanamide
CID 7151265
5-chloro-2-methoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506291
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pentanamide
CID 7151267
3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506297
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 41427141
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylbutanamide
CID 43936471
6-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide
CID 7151276
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanesulfonamide
CID 7151320
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclopropanecarboxamide
CID 18562185
2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 50839605

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide (CID 41427114) is 2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1.
What is the InChIKey of 2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is MAUQHALMQKZCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-3-30-22-12-11-17-7-4-5-10-20(17)23(22)24(29)26-19-9-6-8-18(13-19)21-14-28-16(2)15-31-25(28)27-21/h4-15H,3H2,1-2H3,(H,26,29).
What are the key properties of 2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide?
2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 41427114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).