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

C16H15N7O2S — CID 21419506

IUPAC8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCCc1cc2c(cc1C)sc1ncc(C(=O)Nc3nn[nH]n3)c(=O)n12
InChIInChI=1S/C16H15N7O2S/c1-3-4-9-6-11-12(5-8(9)2)26-16-17-7-10(14(25)23(11)16)13(24)18-15-19-21-22-20-15/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21,22,24)
InChIKeyJTSGMJXYHFLHHL-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.94
Rot. Bonds4

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

8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 21419506) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID21419506
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCCc1cc2c(cc1C)sc1ncc(C(=O)Nc3nn[nH]n3)c(=O)n12
InChIInChI=1S/C16H15N7O2S/c1-3-4-9-6-11-12(5-8(9)2)26-16-17-7-10(14(25)23(11)16)13(24)18-15-19-21-22-20-15/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21,22,24)
InChIKeyJTSGMJXYHFLHHL-UHFFFAOYSA-N
XLogP1.94
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of 8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 21419506) is 8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is CCCc1cc2c(cc1C)sc1ncc(C(=O)Nc3nn[nH]n3)c(=O)n12.
What is the InChIKey of 8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is JTSGMJXYHFLHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c1-3-4-9-6-11-12(5-8(9)2)26-16-17-7-10(14(25)23(11)16)13(24)18-15-19-21-22-20-15/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21,22,24).
What are the key properties of 8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-7-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 21419506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).