N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide

C18H21ClN2O3S — CID 55718292

IUPACN-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)/N=c1\sccn1Cc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3S/c19-16-6-2-1-4-14(16)12-21-8-11-25-18(21)20-17(22)7-10-23-13-15-5-3-9-24-15/h1-2,4,6,8,11,15H,3,5,7,9-10,12-13H2/b20-18-
InChIKeyVMCLTSMJFYHFEA-ZZEZOPTASA-N
MW380.90 g/mol
LogP3.26
Rot. Bonds7

About N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide

N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55718292) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55718292
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)/N=c1\sccn1Cc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3S/c19-16-6-2-1-4-14(16)12-21-8-11-25-18(21)20-17(22)7-10-23-13-15-5-3-9-24-15/h1-2,4,6,8,11,15H,3,5,7,9-10,12-13H2/b20-18-
InChIKeyVMCLTSMJFYHFEA-ZZEZOPTASA-N
XLogP3.26
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]oxolane-2-carboxamide
CID 120796692
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
N-[3-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]furan-2-carboxamide
CID 93305928
(1Z)-1-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-cyclopropylthiourea
CID 42913202
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414135
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46686705
methyl 4-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate
CID 9054250
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2517202
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 8643911
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] (3S,7aR)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate
CID 41118302
(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94813622

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide (CID 55718292) is N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide is O=C(CCOCC1CCCO1)/N=c1\sccn1Cc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is VMCLTSMJFYHFEA-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c19-16-6-2-1-4-14(16)12-21-8-11-25-18(21)20-17(22)7-10-23-13-15-5-3-9-24-15/h1-2,4,6,8,11,15H,3,5,7,9-10,12-13H2/b20-18-.
What are the key properties of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide?
N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55718292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).