N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C21H15N3O5S2 — CID 55512469

IUPACN-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)s1)c1ccco1
InChIInChI=1S/C21H15N3O5S2/c25-19(15-2-1-7-27-15)23-18-6-5-17(31-18)20(26)24-21-22-13(11-30-21)12-3-4-14-16(10-12)29-9-8-28-14/h1-7,10-11H,8-9H2,(H,23,25)(H,22,24,26)
InChIKeySPXUGYJEDWEERR-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.74
Rot. Bonds5

About N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55512469) has the molecular formula C21H15N3O5S2 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55512469
Molecular FormulaC21H15N3O5S2
Molecular Weight453.50 g/mol
Exact Mass453.05
IUPAC NameN-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)s1)c1ccco1
InChIInChI=1S/C21H15N3O5S2/c25-19(15-2-1-7-27-15)23-18-6-5-17(31-18)20(26)24-21-22-13(11-30-21)12-3-4-14-16(10-12)29-9-8-28-14/h1-7,10-11H,8-9H2,(H,23,25)(H,22,24,26)
InChIKeySPXUGYJEDWEERR-UHFFFAOYSA-N
XLogP4.74
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55512059
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-bromothiophene-2-carboxamide
CID 5080929
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319045
3-chloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162316
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 5079800
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 20995435
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 2127477
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4577932
2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162603
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 686182

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55512469) is N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)s1)c1ccco1.
What is the InChIKey of N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is SPXUGYJEDWEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O5S2/c25-19(15-2-1-7-27-15)23-18-6-5-17(31-18)20(26)24-21-22-13(11-30-21)12-3-4-14-16(10-12)29-9-8-28-14/h1-7,10-11H,8-9H2,(H,23,25)(H,22,24,26).
What are the key properties of N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 453.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55512469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).