N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide

C21H19N5O2S — CID 58470038

IUPACN-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(NC(=O)CNC(=O)Cc2nc3ccc(-c4ccccc4)cc3s2)n[nH]1
InChIInChI=1S/C21H19N5O2S/c1-13-9-18(26-25-13)24-20(28)12-22-19(27)11-21-23-16-8-7-15(10-17(16)29-21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,27)(H2,24,25,26,28)
InChIKeyMZTWXGMPAKTOMJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.29
Rot. Bonds6

About N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide

N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 58470038) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID58470038
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(NC(=O)CNC(=O)Cc2nc3ccc(-c4ccccc4)cc3s2)n[nH]1
InChIInChI=1S/C21H19N5O2S/c1-13-9-18(26-25-13)24-20(28)12-22-19(27)11-21-23-16-8-7-15(10-17(16)29-21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,27)(H2,24,25,26,28)
InChIKeyMZTWXGMPAKTOMJ-UHFFFAOYSA-N
XLogP3.29
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide (CID 58470038) is N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is Cc1cc(NC(=O)CNC(=O)Cc2nc3ccc(-c4ccccc4)cc3s2)n[nH]1.
What is the InChIKey of N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is MZTWXGMPAKTOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-13-9-18(26-25-13)24-20(28)12-22-19(27)11-21-23-16-8-7-15(10-17(16)29-21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,27)(H2,24,25,26,28).
What are the key properties of N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide?
N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 58470038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).