5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide

C20H18ClN3O3S — CID 46137217

IUPAC5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
SMILESCc1cs/c(=N\C(=O)c2cccc(Cl)c2)n1Cc1ccc(C(=O)NC2CC2)o1
InChIInChI=1S/C20H18ClN3O3S/c1-12-11-28-20(23-18(25)13-3-2-4-14(21)9-13)24(12)10-16-7-8-17(27-16)19(26)22-15-5-6-15/h2-4,7-9,11,15H,5-6,10H2,1H3,(H,22,26)/b23-20-
InChIKeyCDHGZMOYKKNAMB-ATJXCDBQSA-N
MW415.90 g/mol
LogP3.79
Rot. Bonds5

About 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide

5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide (PubChem CID 46137217) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
PubChem CID46137217
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC Name5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
SMILESCc1cs/c(=N\C(=O)c2cccc(Cl)c2)n1Cc1ccc(C(=O)NC2CC2)o1
InChIInChI=1S/C20H18ClN3O3S/c1-12-11-28-20(23-18(25)13-3-2-4-14(21)9-13)24(12)10-16-7-8-17(27-16)19(26)22-15-5-6-15/h2-4,7-9,11,15H,5-6,10H2,1H3,(H,22,26)/b23-20-
InChIKeyCDHGZMOYKKNAMB-ATJXCDBQSA-N
XLogP3.79
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 71958249
5-[[2-(3-chlorobenzoyl)imino-4,5-dimethyl-1,3-thiazol-3-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 51067213
3-chloro-N-[3-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-2-ylidene]benzamide
CID 131843506
3-chloro-N-[3-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazol-2-ylidene]benzamide
CID 51067230
5-[[2-(2-chlorobenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide
CID 51067409
N-cyclopropyl-5-[[2-(4-fluorobenzoyl)imino-1,3-thiazol-3-yl]methyl]furan-2-carboxamide
CID 51067406
N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
5-[(3-chlorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19446237
3-[[2-(3-chlorobenzoyl)imino-1,3-benzothiazol-3-yl]methyl]-N-methylbenzamide
CID 83283830
2-bromo-4-[(3-chlorophenyl)methyl]-N-cyclopropylthieno[3,2-b]pyrrole-5-carboxamide
CID 83289817
5-[4-[(3-chlorobenzoyl)amino]phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840798

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide?
The IUPAC name of 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide (CID 46137217) is 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide.
What is the SMILES notation for 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide?
The canonical SMILES for 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide is Cc1cs/c(=N\C(=O)c2cccc(Cl)c2)n1Cc1ccc(C(=O)NC2CC2)o1.
What is the InChIKey of 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide?
The InChIKey is CDHGZMOYKKNAMB-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-12-11-28-20(23-18(25)13-3-2-4-14(21)9-13)24(12)10-16-7-8-17(27-16)19(26)22-15-5-6-15/h2-4,7-9,11,15H,5-6,10H2,1H3,(H,22,26)/b23-20-.
What are the key properties of 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide?
5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-chlorobenzoyl)imino-4-methyl-1,3-thiazol-3-yl]methyl]-N-cyclopropylfuran-2-carboxamide is sourced from PubChem (CID 46137217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).