N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide

C20H17N3O2S — CID 13477984

IUPACN,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide
SMILESCN(C)C(=O)Cc1ccc2c(c1)sc1nc(=O)cc(-c3ccccc3)n12
InChIInChI=1S/C20H17N3O2S/c1-22(2)19(25)11-13-8-9-15-17(10-13)26-20-21-18(24)12-16(23(15)20)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyITVFAFLMVPHHAP-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.21
Rot. Bonds3

About N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide

N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide (PubChem CID 13477984) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide
PubChem CID13477984
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide
SMILESCN(C)C(=O)Cc1ccc2c(c1)sc1nc(=O)cc(-c3ccccc3)n12
InChIInChI=1S/C20H17N3O2S/c1-22(2)19(25)11-13-8-9-15-17(10-13)26-20-21-18(24)12-16(23(15)20)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyITVFAFLMVPHHAP-UHFFFAOYSA-N
XLogP3.21
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide (CID 13477984) is N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide is CN(C)C(=O)Cc1ccc2c(c1)sc1nc(=O)cc(-c3ccccc3)n12.
What is the InChIKey of N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide?
The InChIKey is ITVFAFLMVPHHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-22(2)19(25)11-13-8-9-15-17(10-13)26-20-21-18(24)12-16(23(15)20)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide?
N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-oxo-4-phenylpyrimido[2,1-b][1,3]benzothiazol-8-yl)acetamide is sourced from PubChem (CID 13477984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).