2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

C20H19N5OS — CID 137425612

IUPAC2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc2nc(C)sc2c1
InChIInChI=1S/C20H19N5OS/c1-12-24-17-8-5-14(9-18(17)27-12)19(21-2)20(26)25-16-6-3-13(4-7-16)15-10-22-23-11-15/h3-11,19,21H,1-2H3,(H,22,23)(H,25,26)
InChIKeyGYDMHMKRFVQMGJ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.89
Rot. Bonds5

About 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide

2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 137425612) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID137425612
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc2nc(C)sc2c1
InChIInChI=1S/C20H19N5OS/c1-12-24-17-8-5-14(9-18(17)27-12)19(21-2)20(26)25-16-6-3-13(4-7-16)15-10-22-23-11-15/h3-11,19,21H,1-2H3,(H,22,23)(H,25,26)
InChIKeyGYDMHMKRFVQMGJ-UHFFFAOYSA-N
XLogP3.89
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide (CID 137425612) is 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is CNC(C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc2nc(C)sc2c1.
What is the InChIKey of 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is GYDMHMKRFVQMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-12-24-17-8-5-14(9-18(17)27-12)19(21-2)20(26)25-16-6-3-13(4-7-16)15-10-22-23-11-15/h3-11,19,21H,1-2H3,(H,22,23)(H,25,26).
What are the key properties of 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide?
2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(2-methyl-1,3-benzothiazol-6-yl)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 137425612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).