7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide

C14H11N7O2S — CID 23332812

IUPAC7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide
SMILESCc1cc2sc3c(C(=O)Nc4nn[nH]n4)cnc(=O)n3c2cc1C
InChIInChI=1S/C14H11N7O2S/c1-6-3-9-10(4-7(6)2)24-12-8(5-15-14(23)21(9)12)11(22)16-13-17-19-20-18-13/h3-5H,1-2H3,(H2,16,17,18,19,20,22)
InChIKeyDRWRBDBQWRXZOB-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.29
Rot. Bonds2

About 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide

7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide (PubChem CID 23332812) has the molecular formula C14H11N7O2S and a molecular weight of 341.36 g/mol. Its IUPAC name is 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide.

Molecular Properties

Compound Name7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide
PubChem CID23332812
Molecular FormulaC14H11N7O2S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide
SMILESCc1cc2sc3c(C(=O)Nc4nn[nH]n4)cnc(=O)n3c2cc1C
InChIInChI=1S/C14H11N7O2S/c1-6-3-9-10(4-7(6)2)24-12-8(5-15-14(23)21(9)12)11(22)16-13-17-19-20-18-13/h3-5H,1-2H3,(H2,16,17,18,19,20,22)
InChIKeyDRWRBDBQWRXZOB-UHFFFAOYSA-N
XLogP1.29
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7,8-dimethyl-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956487
7-fluoro-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide
CID 23332836
1-oxo-N-(2H-tetrazol-5-yl)-8-(trifluoromethyl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide
CID 70568977
4-oxo-7-propan-2-yl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 21419489
N-(5-tetrazolyl)-7,8-di-n-propyl-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419496
N-(5-tetrazolyl)-7-n-propyl-8-methyl-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419506
4-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 21419510
N-(5-tetrazolyl)-7-methyl-8-n-propyl-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419514
N-(5-tetrazolyl)-7,8-di-i-propyl-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419523
8-ethyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 21419524
7,8-dimethyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 21419525
7-methyl-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 21419531

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide?
The IUPAC name of 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide (CID 23332812) is 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide.
What is the SMILES notation for 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide?
The canonical SMILES for 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide is Cc1cc2sc3c(C(=O)Nc4nn[nH]n4)cnc(=O)n3c2cc1C.
What is the InChIKey of 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide?
The InChIKey is DRWRBDBQWRXZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O2S/c1-6-3-9-10(4-7(6)2)24-12-8(5-15-14(23)21(9)12)11(22)16-13-17-19-20-18-13/h3-5H,1-2H3,(H2,16,17,18,19,20,22).
What are the key properties of 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide?
7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1-oxo-N-(2H-tetrazol-5-yl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide is sourced from PubChem (CID 23332812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).