N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide

C25H20N4O2S — CID 46573518

IUPACN-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C25H20N4O2S/c30-23(11-12-26-24(31)20-6-5-17-3-1-2-4-19(17)15-20)27-21-9-7-18(8-10-21)22-16-29-13-14-32-25(29)28-22/h1-10,13-16H,11-12H2,(H,26,31)(H,27,30)
InChIKeyDPNKYXZGQWKVFT-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.97
Rot. Bonds6

About N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide

N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 46573518) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID46573518
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC NameN-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C25H20N4O2S/c30-23(11-12-26-24(31)20-6-5-17-3-1-2-4-19(17)15-20)27-21-9-7-18(8-10-21)22-16-29-13-14-32-25(29)28-22/h1-10,13-16H,11-12H2,(H,26,31)(H,27,30)
InChIKeyDPNKYXZGQWKVFT-UHFFFAOYSA-N
XLogP4.97
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide
CID 46674582
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593057
3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 3395067
N-[3-[4-(methylcarbamoylamino)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55596125
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
2-(2-ethoxyphenoxy)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40723318
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 17466488
3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 40723401
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 40722991

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide (CID 46573518) is N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is DPNKYXZGQWKVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S/c30-23(11-12-26-24(31)20-6-5-17-3-1-2-4-19(17)15-20)27-21-9-7-18(8-10-21)22-16-29-13-14-32-25(29)28-22/h1-10,13-16H,11-12H2,(H,26,31)(H,27,30).
What are the key properties of N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46573518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).