2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide

C21H16N4O3S2 — CID 118067696

IUPAC2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)c4ccsc4)s3)ccc2c1
InChIInChI=1S/C21H16N4O3S2/c1-11(26)12-2-3-14-9-16(5-4-13(14)8-12)23-21-24-17(18(22)27)20(30-21)25-19(28)15-6-7-29-10-15/h2-10H,1H3,(H2,22,27)(H,23,24)(H,25,28)
InChIKeyUXYOGNVNSMYEPJ-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.66
Rot. Bonds6

About 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide

2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide (PubChem CID 118067696) has the molecular formula C21H16N4O3S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide
PubChem CID118067696
Molecular FormulaC21H16N4O3S2
Molecular Weight436.52 g/mol
Exact Mass436.07
IUPAC Name2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide
SMILESCC(=O)c1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)c4ccsc4)s3)ccc2c1
InChIInChI=1S/C21H16N4O3S2/c1-11(26)12-2-3-14-9-16(5-4-13(14)8-12)23-21-24-17(18(22)27)20(30-21)25-19(28)15-6-7-29-10-15/h2-10H,1H3,(H2,22,27)(H,23,24)(H,25,28)
InChIKeyUXYOGNVNSMYEPJ-UHFFFAOYSA-N
XLogP4.66
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-ethenylbenzoyl)amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062057
5-[(4-acetamidobenzoyl)amino]-2-(4-chloroanilino)-1,3-thiazole-4-carboxamide
CID 46234659
5-[[4-[2-hydroxyethyl(methyl)amino]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90015298
5-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062334
5-[(4-methoxybenzoyl)amino]-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 46234817
5-[[4-[(2-hydroxyethylamino)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062272
2-(naphthalen-2-ylamino)-5-[(2-pyridin-4-ylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 118062665
5-[[(Z)-3-chlorobut-2-enoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118062264
5-[[4-[(5-methyltetrazol-1-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067709
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
5-[[4-[(5-methyltetrazol-2-yl)methyl]benzoyl]amino]-2-(naphthalen-2-ylamino)-1,3-thiazole-4-carboxamide
CID 118067712
2-(naphthalen-2-ylamino)-5-[[4-[(3-oxopiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 118061973

Frequently Asked Questions

What is the IUPAC name of 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide (CID 118067696) is 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide is CC(=O)c1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)c4ccsc4)s3)ccc2c1.
What is the InChIKey of 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is UXYOGNVNSMYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S2/c1-11(26)12-2-3-14-9-16(5-4-13(14)8-12)23-21-24-17(18(22)27)20(30-21)25-19(28)15-6-7-29-10-15/h2-10H,1H3,(H2,22,27)(H,23,24)(H,25,28).
What are the key properties of 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide?
2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-acetylnaphthalen-2-yl)amino]-5-(thiophene-3-carbonylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118067696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).