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

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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).