N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide

C17H26N4O2S — CID 45187642

IUPACN-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C17H26N4O2S/c1-24-11-16(23)19-14-3-2-4-15-13(14)9-18-17(20-15)21-7-5-12(10-22)6-8-21/h9,12,14,22H,2-8,10-11H2,1H3,(H,19,23)
InChIKeyLSDXLGRLVRWFCW-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.54
Rot. Bonds5

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide (PubChem CID 45187642) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide
PubChem CID45187642
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CCCc2nc(N3CCC(CO)CC3)ncc21
InChIInChI=1S/C17H26N4O2S/c1-24-11-16(23)19-14-3-2-4-15-13(14)9-18-17(20-15)21-7-5-12(10-22)6-8-21/h9,12,14,22H,2-8,10-11H2,1H3,(H,19,23)
InChIKeyLSDXLGRLVRWFCW-UHFFFAOYSA-N
XLogP1.54
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide with MolForge

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Related Compounds

N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]cyclopropanecarboxamide
CID 45230277
2-methyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 110237938
2-ethyl-N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)butanamide
CID 110237945
N-(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 110237950
N-(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 110237962
[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25283348
[1-[(5S)-5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25479898
4,4,4-trifluoro-N-{2-[4-(hydroxymethyl)-1-piperidinyl]-5,6,7,8-tetrahydro-5-quinazolinyl}butanamide
CID 45220295
N-[2-(dimethylamino)-5,6,7,8-tetrahydro-5-quinazolinyl]propanamide
CID 45227832
[1-(5-Amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
CID 70778972
(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 97132416
4,4,4-trifluoro-N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
CID 25302720

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide (CID 45187642) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide is CSCC(=O)NC1CCCc2nc(N3CCC(CO)CC3)ncc21.
What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide?
The InChIKey is LSDXLGRLVRWFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-24-11-16(23)19-14-3-2-4-15-13(14)9-18-17(20-15)21-7-5-12(10-22)6-8-21/h9,12,14,22H,2-8,10-11H2,1H3,(H,19,23).
What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide?
N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide has a molecular weight of 350.49 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 45187642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).