4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide

C14H15ClN2O2S — CID 110398339

IUPAC4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOCc1nc(CCNC(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H15ClN2O2S/c1-19-8-13-17-12(9-20-13)6-7-16-14(18)10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyZEQDXGWBGQDGDR-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.92
Rot. Bonds6

About 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide

4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide (PubChem CID 110398339) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide
PubChem CID110398339
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide
SMILESCOCc1nc(CCNC(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H15ClN2O2S/c1-19-8-13-17-12(9-20-13)6-7-16-14(18)10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyZEQDXGWBGQDGDR-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
CID 110398286
2-[2-[(4-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373281
N-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethyl]-4-methoxybenzamide
CID 1497766
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide
CID 7216558
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
CID 35541475
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
N-[2-[2-[(6-methyl-3-pyridinyl)oxymethyl]-1,3-thiazol-4-yl]ethyl]pyridine-4-carboxamide
CID 110350649
N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]-4-phenoxybutanamide
CID 110398327
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide (CID 110398339) is 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide is COCc1nc(CCNC(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide?
The InChIKey is ZEQDXGWBGQDGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-19-8-13-17-12(9-20-13)6-7-16-14(18)10-2-4-11(15)5-3-10/h2-5,9H,6-8H2,1H3,(H,16,18).
What are the key properties of 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide?
4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide has a molecular weight of 310.81 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(methoxymethyl)-1,3-thiazol-4-yl]ethyl]benzamide is sourced from PubChem (CID 110398339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).