N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide

C20H19N3O3S2 — CID 18127750

IUPACN-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide
SMILESCC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(C(C)=O)s3)n2)cc1
InChIInChI=1S/C20H19N3O3S2/c1-12(24)17-7-8-18(28-17)19(26)23-20-22-16(11-27-20)15-5-3-14(4-6-15)9-10-21-13(2)25/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyAJRDPODKMHPFRJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.01
Rot. Bonds7

About N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide

N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide (PubChem CID 18127750) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide
PubChem CID18127750
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC NameN-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide
SMILESCC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(C(C)=O)s3)n2)cc1
InChIInChI=1S/C20H19N3O3S2/c1-12(24)17-7-8-18(28-17)19(26)23-20-22-16(11-27-20)15-5-3-14(4-6-15)9-10-21-13(2)25/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyAJRDPODKMHPFRJ-UHFFFAOYSA-N
XLogP4.01
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17410318
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 8023461
(1S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,2-dichlorocyclopropane-1-carboxamide
CID 31933611
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 112773417
[2-[4-(2-acetamido-1,3-thiazol-4-yl)phenyl]ethylamino] carbamate
CID 87993044
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919340
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 46820400

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide (CID 18127750) is N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide is CC(=O)NCCc1ccc(-c2csc(NC(=O)c3ccc(C(C)=O)s3)n2)cc1.
What is the InChIKey of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide?
The InChIKey is AJRDPODKMHPFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-12(24)17-7-8-18(28-17)19(26)23-20-22-16(11-27-20)15-5-3-14(4-6-15)9-10-21-13(2)25/h3-8,11H,9-10H2,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide?
N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-acetylthiophene-2-carboxamide is sourced from PubChem (CID 18127750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).