2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide

C19H19ClN2O2S — CID 19210259

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1nc2c(C)c(C)ccc2s1
InChIInChI=1S/C19H19ClN2O2S/c1-10-5-8-16-17(12(10)3)21-19(25-16)22-18(23)13(4)24-15-7-6-14(20)9-11(15)2/h5-9,13H,1-4H3,(H,21,22,23)
InChIKeyFVSFDDHDZRTLBA-UHFFFAOYSA-N
MW374.89 g/mol
LogP5.28
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide

2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 19210259) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID19210259
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1nc2c(C)c(C)ccc2s1
InChIInChI=1S/C19H19ClN2O2S/c1-10-5-8-16-17(12(10)3)21-19(25-16)22-18(23)13(4)24-15-7-6-14(20)9-11(15)2/h5-9,13H,1-4H3,(H,21,22,23)
InChIKeyFVSFDDHDZRTLBA-UHFFFAOYSA-N
XLogP5.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.89
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2676975
2-(4-chloro-2-methylphenoxy)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2930951
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
2-(4-chloro-2-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 4192388
(2S)-N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 2215184
(2S)-2-(2,4-dichlorophenoxy)-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)propanamide
CID 99966912
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide (CID 19210259) is 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1nc2c(C)c(C)ccc2s1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is FVSFDDHDZRTLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-10-5-8-16-17(12(10)3)21-19(25-16)22-18(23)13(4)24-15-7-6-14(20)9-11(15)2/h5-9,13H,1-4H3,(H,21,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 374.89 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 19210259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).