6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione

C18H18N4S2 — CID 24917484

IUPAC6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
SMILESCc1ccccc1-c1ncc(CN2CCc3[nH]c(=S)ncc3C2)s1
InChIInChI=1S/C18H18N4S2/c1-12-4-2-3-5-15(12)17-19-9-14(24-17)11-22-7-6-16-13(10-22)8-20-18(23)21-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,21,23)
InChIKeyCVJCPJVWYKPERL-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.13
Rot. Bonds3

About 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione

6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione (PubChem CID 24917484) has the molecular formula C18H18N4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
PubChem CID24917484
Molecular FormulaC18H18N4S2
Molecular Weight354.50 g/mol
Exact Mass354.10
IUPAC Name6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
SMILESCc1ccccc1-c1ncc(CN2CCc3[nH]c(=S)ncc3C2)s1
InChIInChI=1S/C18H18N4S2/c1-12-4-2-3-5-15(12)17-19-9-14(24-17)11-22-7-6-16-13(10-22)8-20-18(23)21-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,21,23)
InChIKeyCVJCPJVWYKPERL-UHFFFAOYSA-N
XLogP4.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24913621
2-(2-methylphenyl)-5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24917493
2-tert-butyl-6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947634
6-[(3-fluoro-2-pyridinyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24917274
6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 53215345
6-[[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24917106
6-[(2,3-dihydroxyphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24928282
6-[(3-benzylimidazol-4-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24912193
6-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24912802
6-[(2,3-dichlorophenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24928219
7-[(4-methylthiophen-2-yl)methyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2-thione
CID 24930917
2-(2-methylphenyl)-5-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;dihydrochloride
CID 154901253

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The IUPAC name of 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione (CID 24917484) is 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione.
What is the SMILES notation for 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The canonical SMILES for 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione is Cc1ccccc1-c1ncc(CN2CCc3[nH]c(=S)ncc3C2)s1.
What is the InChIKey of 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The InChIKey is CVJCPJVWYKPERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S2/c1-12-4-2-3-5-15(12)17-19-9-14(24-17)11-22-7-6-16-13(10-22)8-20-18(23)21-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,21,23).
What are the key properties of 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione has a molecular weight of 354.50 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione is sourced from PubChem (CID 24917484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).