2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide

C19H19N3OS — CID 120667928

IUPAC2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1
InChIInChI=1S/C19H19N3OS/c1-11-2-4-12(5-3-11)17(20)18(23)21-14-8-9-15-16(10-14)24-19(22-15)13-6-7-13/h2-5,8-10,13,17H,6-7,20H2,1H3,(H,21,23)
InChIKeyVKHJDFBZDCIUFL-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.12
Rot. Bonds4

About 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide

2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide (PubChem CID 120667928) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide
PubChem CID120667928
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1
InChIInChI=1S/C19H19N3OS/c1-11-2-4-12(5-3-11)17(20)18(23)21-14-8-9-15-16(10-14)24-19(22-15)13-6-7-13/h2-5,8-10,13,17H,6-7,20H2,1H3,(H,21,23)
InChIKeyVKHJDFBZDCIUFL-UHFFFAOYSA-N
XLogP4.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119754276
(2S)-2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119306502
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
CID 119306517
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 51099308
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
1-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 94826103
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545
2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 120669855
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 75418385
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119306490

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide (CID 120667928) is 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)Nc2ccc3nc(C4CC4)sc3c2)cc1.
What is the InChIKey of 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is VKHJDFBZDCIUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-11-2-4-12(5-3-11)17(20)18(23)21-14-8-9-15-16(10-14)24-19(22-15)13-6-7-13/h2-5,8-10,13,17H,6-7,20H2,1H3,(H,21,23).
What are the key properties of 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide?
2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 337.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120667928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).