7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

C12H5ClFN7O2S — CID 21419494

IUPAC7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cnc2sc3cc(F)c(Cl)cc3n2c1=O
InChIInChI=1S/C12H5ClFN7O2S/c13-5-1-7-8(2-6(5)14)24-12-15-3-4(10(23)21(7)12)9(22)16-11-17-19-20-18-11/h1-3H,(H2,16,17,18,19,20,22)
InChIKeyOQLSOSPRUKKIKJ-UHFFFAOYSA-N
MW365.74 g/mol
LogP1.47
Rot. Bonds2

About 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide

7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 21419494) has the molecular formula C12H5ClFN7O2S and a molecular weight of 365.74 g/mol. Its IUPAC name is 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID21419494
Molecular FormulaC12H5ClFN7O2S
Molecular Weight365.74 g/mol
Exact Mass364.99
IUPAC Name7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cnc2sc3cc(F)c(Cl)cc3n2c1=O
InChIInChI=1S/C12H5ClFN7O2S/c13-5-1-7-8(2-6(5)14)24-12-15-3-4(10(23)21(7)12)9(22)16-11-17-19-20-18-11/h1-3H,(H2,16,17,18,19,20,22)
InChIKeyOQLSOSPRUKKIKJ-UHFFFAOYSA-N
XLogP1.47
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.74
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 21419494) is 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is O=C(Nc1nn[nH]n1)c1cnc2sc3cc(F)c(Cl)cc3n2c1=O.
What is the InChIKey of 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is OQLSOSPRUKKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClFN7O2S/c13-5-1-7-8(2-6(5)14)24-12-15-3-4(10(23)21(7)12)9(22)16-11-17-19-20-18-11/h1-3H,(H2,16,17,18,19,20,22).
What are the key properties of 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 365.74 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 21419494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).