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

C21H17N3O3S2 — CID 55512059

IUPACN-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)c4ccco4)s3)n2)cc1
InChIInChI=1S/C21H17N3O3S2/c1-2-13-5-7-14(8-6-13)15-12-28-21(22-15)24-20(26)17-9-10-18(29-17)23-19(25)16-4-3-11-27-16/h3-12H,2H2,1H3,(H,23,25)(H,22,24,26)
InChIKeySLIBXDNDJSRTJI-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.53
Rot. Bonds6

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

N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55512059) has the molecular formula C21H17N3O3S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55512059
Molecular FormulaC21H17N3O3S2
Molecular Weight423.52 g/mol
Exact Mass423.07
IUPAC NameN-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)c4ccco4)s3)n2)cc1
InChIInChI=1S/C21H17N3O3S2/c1-2-13-5-7-14(8-6-13)15-12-28-21(22-15)24-20(26)17-9-10-18(29-17)23-19(25)16-4-3-11-27-16/h3-12H,2H2,1H3,(H,23,25)(H,22,24,26)
InChIKeySLIBXDNDJSRTJI-UHFFFAOYSA-N
XLogP5.53
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
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]furan-2-carboxamide
CID 4061506
N-[4-[2-(butanoylamino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 17392556
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-[3-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]furan-2-carboxamide
CID 2114344
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1H-pyrrole-2-carboxamide
CID 112795383
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
CID 41097129
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 7565481

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55512059) is N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is CCc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)c4ccco4)s3)n2)cc1.
What is the InChIKey of N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is SLIBXDNDJSRTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S2/c1-2-13-5-7-14(8-6-13)15-12-28-21(22-15)24-20(26)17-9-10-18(29-17)23-19(25)16-4-3-11-27-16/h3-12H,2H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55512059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).