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

C13H8ClN7O2S — CID 21419549

IUPAC8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCc1cc2c(cc1Cl)sc1ncc(C(=O)Nc3nn[nH]n3)c(=O)n12
InChIInChI=1S/C13H8ClN7O2S/c1-5-2-8-9(3-7(5)14)24-13-15-4-6(11(23)21(8)13)10(22)16-12-17-19-20-18-12/h2-4H,1H3,(H2,16,17,18,19,20,22)
InChIKeyCLFSGXALNVSRBY-UHFFFAOYSA-N
MW361.77 g/mol
LogP1.64
Rot. Bonds2

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

8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 21419549) has the molecular formula C13H8ClN7O2S and a molecular weight of 361.77 g/mol. Its IUPAC name is 8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound Name8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID21419549
Molecular FormulaC13H8ClN7O2S
Molecular Weight361.77 g/mol
Exact Mass361.01
IUPAC Name8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCc1cc2c(cc1Cl)sc1ncc(C(=O)Nc3nn[nH]n3)c(=O)n12
InChIInChI=1S/C13H8ClN7O2S/c1-5-2-8-9(3-7(5)14)24-13-15-4-6(11(23)21(8)13)10(22)16-12-17-19-20-18-12/h2-4H,1H3,(H2,16,17,18,19,20,22)
InChIKeyCLFSGXALNVSRBY-UHFFFAOYSA-N
XLogP1.64
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.77
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of 8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 21419549) is 8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for 8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for 8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is Cc1cc2c(cc1Cl)sc1ncc(C(=O)Nc3nn[nH]n3)c(=O)n12.
What is the InChIKey of 8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is CLFSGXALNVSRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN7O2S/c1-5-2-8-9(3-7(5)14)24-13-15-4-6(11(23)21(8)13)10(22)16-12-17-19-20-18-12/h2-4H,1H3,(H2,16,17,18,19,20,22).
What are the key properties of 8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 361.77 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 21419549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).