5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole

C16H16N4OS — CID 24916500

IUPAC5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCc2nc(-c3ccco3)ncc2C1
InChIInChI=1S/C16H16N4OS/c1-11-15(22-10-18-11)9-20-5-4-13-12(8-20)7-17-16(19-13)14-3-2-6-21-14/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyCIBLKZOFORDIOG-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.06
Rot. Bonds3

About 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole

5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 24916500) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID24916500
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCc2nc(-c3ccco3)ncc2C1
InChIInChI=1S/C16H16N4OS/c1-11-15(22-10-18-11)9-20-5-4-13-12(8-20)7-17-16(19-13)14-3-2-6-21-14/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyCIBLKZOFORDIOG-UHFFFAOYSA-N
XLogP3.06
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 24913203
2-(furan-2-yl)-6-[(4-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917087
2-(furan-2-yl)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910326
6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928683
1-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]thiophen-2-yl]ethanone
CID 24910977
6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928620
2-(furan-2-yl)-6-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929859
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid
CID 24909111
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911733
2-amino-3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
CID 24910410
1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909276
2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910851

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole (CID 24916500) is 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCc2nc(-c3ccco3)ncc2C1.
What is the InChIKey of 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is CIBLKZOFORDIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-15(22-10-18-11)9-20-5-4-13-12(8-20)7-17-16(19-13)14-3-2-6-21-14/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole?
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 312.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 24916500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).