3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

C19H18ClN3O2S — CID 55485822

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1nc2ccc(C)cc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-11-3-8-15-17(9-11)26-19(22-15)23-18(25)10-16(21-12(2)24)13-4-6-14(20)7-5-13/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyNHZCGYZRHPPWSK-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.46
Rot. Bonds5

About 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 55485822) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
PubChem CID55485822
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1nc2ccc(C)cc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-11-3-8-15-17(9-11)26-19(22-15)23-18(25)10-16(21-12(2)24)13-4-6-14(20)7-5-13/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyNHZCGYZRHPPWSK-UHFFFAOYSA-N
XLogP4.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 51309529
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-3-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 55487655
2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 836502
3-acetamido-3-(4-chlorophenyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide
CID 55381431
3-acetamido-N-(3,5-dichlorophenyl)-3-(4-methylphenyl)propanamide
CID 55377328
N-[(1R)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2081100
3-acetamido-N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-(4-chlorophenyl)propanamide
CID 55600225
2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820226
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 55487003

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide (CID 55485822) is 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is CC(=O)NC(CC(=O)Nc1nc2ccc(C)cc2s1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is NHZCGYZRHPPWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-11-3-8-15-17(9-11)26-19(22-15)23-18(25)10-16(21-12(2)24)13-4-6-14(20)7-5-13/h3-9,16H,10H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 387.89 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 55485822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).