N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide

C26H30N4O3S2 — CID 67549751

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
SMILESCOCCN1CCN(CCCN(C(=O)c2cccs2)c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C26H30N4O3S2/c1-32-16-15-29-13-11-28(12-14-29)9-5-10-30(25(31)24-8-4-17-34-24)26-27-21(19-35-26)23-18-20-6-2-3-7-22(20)33-23/h2-4,6-8,17-19H,5,9-16H2,1H3
InChIKeyZTJFWDSGXSWEPF-UHFFFAOYSA-N
MW510.69 g/mol
LogP4.92
Rot. Bonds10

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide (PubChem CID 67549751) has the molecular formula C26H30N4O3S2 and a molecular weight of 510.69 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
PubChem CID67549751
Molecular FormulaC26H30N4O3S2
Molecular Weight510.69 g/mol
Exact Mass510.18
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
SMILESCOCCN1CCN(CCCN(C(=O)c2cccs2)c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C26H30N4O3S2/c1-32-16-15-29-13-11-28(12-14-29)9-5-10-30(25(31)24-8-4-17-34-24)26-27-21(19-35-26)23-18-20-6-2-3-7-22(20)33-23/h2-4,6-8,17-19H,5,9-16H2,1H3
InChIKeyZTJFWDSGXSWEPF-UHFFFAOYSA-N
XLogP4.92
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.69
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 2484138
4-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 2469776
4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2531071
1-[4-(1-Benzofuran-2-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 44144370
2-[1-(3a,7a-dihydro-1H-imidazo[4,5-b]pyridin-2-ylmethyl)piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
CID 155548816
N-Furan-2-ylmethyl-N-(4-phenyl-thiazol-2-yl)-propionamide
CID 651338
Thiophene-2-carboxylic acid [4-(4-methoxy-phenyl)-thiazol-2-yl]-(tetrahydro-furan-2-ylmethyl)-amide
CID 654583
N-Furan-2-ylmethyl-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-propionamide
CID 862712
Thiophene-2-carboxylic acid furan-2-ylmethyl-(4-p-tolyl-thiazol-2-yl)-amide
CID 1175951
4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine
CID 2091972
3-[[4-(2-Benzofuranyl)-2-thiazolyl]methyl]-2-[(dimethylamino)methyl]-4-quinazolinone
CID 2104690
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-(dimethylsulfamoyl)benzamide
CID 2322167

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide (CID 67549751) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide is COCCN1CCN(CCCN(C(=O)c2cccs2)c2nc(-c3cc4ccccc4o3)cs2)CC1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
The InChIKey is ZTJFWDSGXSWEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S2/c1-32-16-15-29-13-11-28(12-14-29)9-5-10-30(25(31)24-8-4-17-34-24)26-27-21(19-35-26)23-18-20-6-2-3-7-22(20)33-23/h2-4,6-8,17-19H,5,9-16H2,1H3.
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide has a molecular weight of 510.69 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-[3-[4-(2-methoxyethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 67549751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).