N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C18H13N3O3S2 — CID 3336196

IUPACN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1)c1cccs1
InChIInChI=1S/C18H13N3O3S2/c22-15(14-6-3-9-25-14)20-18-19-11(10-26-18)7-8-21-16(23)12-4-1-2-5-13(12)17(21)24/h1-6,9-10H,7-8H2,(H,19,20,22)
InChIKeyBNKUEOKYGFYAFH-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.30
Rot. Bonds5

About N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 3336196) has the molecular formula C18H13N3O3S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID3336196
Molecular FormulaC18H13N3O3S2
Molecular Weight383.45 g/mol
Exact Mass383.04
IUPAC NameN-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1)c1cccs1
InChIInChI=1S/C18H13N3O3S2/c22-15(14-6-3-9-25-14)20-18-19-11(10-26-18)7-8-21-16(23)12-4-1-2-5-13(12)17(21)24/h1-6,9-10H,7-8H2,(H,19,20,22)
InChIKeyBNKUEOKYGFYAFH-UHFFFAOYSA-N
XLogP3.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208657
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate
CID 7808070
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30858709
N-[4-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208698
N-[4-[3-(3,5-dimethylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208685
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 29369939
N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 45497679
N-[4-[2-(9H-fluoren-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55363923

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 3336196) is N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1)c1cccs1.
What is the InChIKey of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is BNKUEOKYGFYAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S2/c22-15(14-6-3-9-25-14)20-18-19-11(10-26-18)7-8-21-16(23)12-4-1-2-5-13(12)17(21)24/h1-6,9-10H,7-8H2,(H,19,20,22).
What are the key properties of N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3336196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).