4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide

C15H17ClN2O2S — CID 166187595

IUPAC4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-3-18(4-2)14(19)11-5-7-12(8-6-11)20-10-13-9-17-15(16)21-13/h5-9H,3-4,10H2,1-2H3
InChIKeyGZFFYFMJQMKKNT-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.86
Rot. Bonds6

About 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide

4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide (PubChem CID 166187595) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide
PubChem CID166187595
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(OCc2cnc(Cl)s2)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-3-18(4-2)14(19)11-5-7-12(8-6-11)20-10-13-9-17-15(16)21-13/h5-9H,3-4,10H2,1-2H3
InChIKeyGZFFYFMJQMKKNT-UHFFFAOYSA-N
XLogP3.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole
CID 79764860
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
1-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861975
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N,N-diethyl-3-methylbenzamide
CID 168579788
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
2-[ethyl-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetic acid
CID 119206239
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634
[4-(diethylcarbamoyl)phenyl] acetate
CID 683590
(2-chloro-1,3-thiazol-5-yl)methyl 4-iodobenzoate
CID 1479754
2-[ethyl-[4-(2-methoxyethoxy)benzoyl]amino]acetic acid
CID 119206355

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide?
The IUPAC name of 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide (CID 166187595) is 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(OCc2cnc(Cl)s2)cc1.
What is the InChIKey of 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide?
The InChIKey is GZFFYFMJQMKKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-18(4-2)14(19)11-5-7-12(8-6-11)20-10-13-9-17-15(16)21-13/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide?
4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide has a molecular weight of 324.83 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-N,N-diethylbenzamide is sourced from PubChem (CID 166187595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).