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

C15H13N7O2S — CID 149150244

IUPAC4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCCc1ccc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2c1
InChIInChI=1S/C15H13N7O2S/c1-2-3-8-4-5-11-10(6-8)22-13(24)9(7-16-15(22)25-11)12(23)17-14-18-20-21-19-14/h4-7H,2-3H2,1H3,(H2,17,18,19,20,21,23)
InChIKeyQGCJLZBZUZDSJX-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.63
Rot. Bonds4

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

4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 149150244) has the molecular formula C15H13N7O2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound Name4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID149150244
Molecular FormulaC15H13N7O2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCCc1ccc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2c1
InChIInChI=1S/C15H13N7O2S/c1-2-3-8-4-5-11-10(6-8)22-13(24)9(7-16-15(22)25-11)12(23)17-14-18-20-21-19-14/h4-7H,2-3H2,1H3,(H2,17,18,19,20,21,23)
InChIKeyQGCJLZBZUZDSJX-UHFFFAOYSA-N
XLogP1.63
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-Tetrazolyl)-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 12857961
7,8-dimethyl-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956487
7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 12956488
N-(5-tetrazolyl)-7,8-difluoro-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419501
7-fluoro-4-oxo-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 21419507
N-(5-tetrazolyl)-7-trifluoromethyl-8-methylthio-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419516
N-(5-tetrazolyl)-7-fluoro-8-methylthio-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419517
N-(5-tetrazolyl)-7-trifluoromethyl-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419528
N-(5-tetrazolyl)-7-amino-8-fluoro-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419529
N-(5-tetrazolyl)-8-fluoro-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419540
N-(5-tetrazolyl)-7-trifluoromethyl-8-fluoro-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419546
1-oxo-N-(2H-tetrazol-5-yl)-8-(trifluoromethyl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxamide
CID 70568977

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of 4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 149150244) is 4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for 4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for 4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is CCCc1ccc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2c1.
What is the InChIKey of 4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is QGCJLZBZUZDSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O2S/c1-2-3-8-4-5-11-10(6-8)22-13(24)9(7-16-15(22)25-11)12(23)17-14-18-20-21-19-14/h4-7H,2-3H2,1H3,(H2,17,18,19,20,21,23).
What are the key properties of 4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 149150244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).