7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H13N7OS — CID 46566858

IUPAC7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(NCc2cc(=O)n3ccsc3n2)ccc1-n1cnnn1
InChIInChI=1S/C15H13N7OS/c1-10-6-11(2-3-13(10)22-9-17-19-20-22)16-8-12-7-14(23)21-4-5-24-15(21)18-12/h2-7,9,16H,8H2,1H3
InChIKeyPBFAPRVTLIEPGI-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.65
Rot. Bonds4

About 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46566858) has the molecular formula C15H13N7OS and a molecular weight of 339.38 g/mol. Its IUPAC name is 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46566858
Molecular FormulaC15H13N7OS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC Name7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cc(NCc2cc(=O)n3ccsc3n2)ccc1-n1cnnn1
InChIInChI=1S/C15H13N7OS/c1-10-6-11(2-3-13(10)22-9-17-19-20-22)16-8-12-7-14(23)21-4-5-24-15(21)18-12/h2-7,9,16H,8H2,1H3
InChIKeyPBFAPRVTLIEPGI-UHFFFAOYSA-N
XLogP1.65
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

2-methyl-7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55894578
7-methyl-2-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42884024
3-methyl-4-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63655002
3-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 56795594
7-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47082242
3-methyl-N-[(1-methyltriazol-4-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62756138
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
7-[(3,5-dichloroanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 78795438
7-[(4-fluoro-2-methylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458961
7-(methylaminomethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127002284
7-[(3-ethynylanilino)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47151104
N-heptyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732890

Frequently Asked Questions

What is the IUPAC name of 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46566858) is 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cc(NCc2cc(=O)n3ccsc3n2)ccc1-n1cnnn1.
What is the InChIKey of 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PBFAPRVTLIEPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7OS/c1-10-6-11(2-3-13(10)22-9-17-19-20-22)16-8-12-7-14(23)21-4-5-24-15(21)18-12/h2-7,9,16H,8H2,1H3.
What are the key properties of 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 339.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-methyl-4-(tetrazol-1-yl)anilino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46566858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).