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

C18H19N7O2S — CID 21419496

IUPAC4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCCc1cc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2cc1CCC
InChIInChI=1S/C18H19N7O2S/c1-3-5-10-7-13-14(8-11(10)6-4-2)28-18-19-9-12(16(27)25(13)18)15(26)20-17-21-23-24-22-17/h7-9H,3-6H2,1-2H3,(H2,20,21,22,23,24,26)
InChIKeyREMWFDYRICDMMH-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.58
Rot. Bonds6

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

4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 21419496) has the molecular formula C18H19N7O2S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound Name4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID21419496
Molecular FormulaC18H19N7O2S
Molecular Weight397.46 g/mol
Exact Mass397.13
IUPAC Name4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCCc1cc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2cc1CCC
InChIInChI=1S/C18H19N7O2S/c1-3-5-10-7-13-14(8-11(10)6-4-2)28-18-19-9-12(16(27)25(13)18)15(26)20-17-21-23-24-22-17/h7-9H,3-6H2,1-2H3,(H2,20,21,22,23,24,26)
InChIKeyREMWFDYRICDMMH-UHFFFAOYSA-N
XLogP2.58
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-oxo-7,8-dipropyl-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 4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of 4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 21419496) is 4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for 4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for 4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is CCCc1cc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2cc1CCC.
What is the InChIKey of 4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is REMWFDYRICDMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2S/c1-3-5-10-7-13-14(8-11(10)6-4-2)28-18-19-9-12(16(27)25(13)18)15(26)20-17-21-23-24-22-17/h7-9H,3-6H2,1-2H3,(H2,20,21,22,23,24,26).
What are the key properties of 4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7,8-dipropyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 21419496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).