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

C16H15N7O2S — CID 21419514

IUPAC7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCCc1cc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2cc1C
InChIInChI=1S/C16H15N7O2S/c1-3-4-9-6-12-11(5-8(9)2)23-14(25)10(7-17-16(23)26-12)13(24)18-15-19-21-22-20-15/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21,22,24)
InChIKeyHGHGOIYVRWKGRK-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.94
Rot. Bonds4

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

7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (PubChem CID 21419514) has the molecular formula C16H15N7O2S and a molecular weight of 369.41 g/mol. Its IUPAC name is 7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.

Molecular Properties

Compound Name7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
PubChem CID21419514
Molecular FormulaC16H15N7O2S
Molecular Weight369.41 g/mol
Exact Mass369.10
IUPAC Name7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
SMILESCCCc1cc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2cc1C
InChIInChI=1S/C16H15N7O2S/c1-3-4-9-6-12-11(5-8(9)2)23-14(25)10(7-17-16(23)26-12)13(24)18-15-19-21-22-20-15/h5-7H,3-4H2,1-2H3,(H2,18,19,20,21,22,24)
InChIKeyHGHGOIYVRWKGRK-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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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-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-trifluoromethyl-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419528
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
4-oxo-N-(2H-tetrazol-5-yl)-8-(trifluoromethyl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
CID 150950340
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-amino-8-methyl-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419491
N-(5-tetrazolyl)-7,8-di-n-propyl-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419496
N-(5-tetrazolyl)-7-nitro-8-n-propyl-4-oxo-4H-pyrimido[2,1-b]benzothiazole-3-carboxamide
CID 21419503

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The IUPAC name of 7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide (CID 21419514) is 7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide.
What is the SMILES notation for 7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The canonical SMILES for 7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is CCCc1cc2sc3ncc(C(=O)Nc4nn[nH]n4)c(=O)n3c2cc1C.
What is the InChIKey of 7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
The InChIKey is HGHGOIYVRWKGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2S/c1-3-4-9-6-12-11(5-8(9)2)23-14(25)10(7-17-16(23)26-12)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 7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide?
7-methyl-4-oxo-8-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 7-methyl-4-oxo-8-propyl-N-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide is sourced from PubChem (CID 21419514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).