2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide

C17H13N3OS — CID 127025878

IUPAC2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide
SMILESCc1nc2sc3ccccc3n2c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13N3OS/c1-11-15(16(21)19-12-7-3-2-4-8-12)20-13-9-5-6-10-14(13)22-17(20)18-11/h2-10H,1H3,(H,19,21)
InChIKeyDNZYTVQINOVURX-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.11
Rot. Bonds2

About 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide

2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide (PubChem CID 127025878) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide
PubChem CID127025878
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide
SMILESCc1nc2sc3ccccc3n2c1C(=O)Nc1ccccc1
InChIInChI=1S/C17H13N3OS/c1-11-15(16(21)19-12-7-3-2-4-8-12)20-13-9-5-6-10-14(13)22-17(20)18-11/h2-10H,1H3,(H,19,21)
InChIKeyDNZYTVQINOVURX-UHFFFAOYSA-N
XLogP4.11
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide?
The IUPAC name of 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide (CID 127025878) is 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide.
What is the SMILES notation for 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide?
The canonical SMILES for 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide is Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide?
The InChIKey is DNZYTVQINOVURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-11-15(16(21)19-12-7-3-2-4-8-12)20-13-9-5-6-10-14(13)22-17(20)18-11/h2-10H,1H3,(H,19,21).
What are the key properties of 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide?
2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide is sourced from PubChem (CID 127025878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).