4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol

C17H17BrN4OS2 — CID 167902254

IUPAC4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
SMILESCSc1ccc2ncnc(N3CCC(O)(c4scnc4Br)CC3)c2c1
InChIInChI=1S/C17H17BrN4OS2/c1-24-11-2-3-13-12(8-11)16(20-9-19-13)22-6-4-17(23,5-7-22)14-15(18)21-10-25-14/h2-3,8-10,23H,4-7H2,1H3
InChIKeyQIYUQWLVUMOHIR-UHFFFAOYSA-N
MW437.39 g/mol
LogP4.06
Rot. Bonds3

About 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol

4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol (PubChem CID 167902254) has the molecular formula C17H17BrN4OS2 and a molecular weight of 437.39 g/mol. Its IUPAC name is 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
PubChem CID167902254
Molecular FormulaC17H17BrN4OS2
Molecular Weight437.39 g/mol
Exact Mass436.00
IUPAC Name4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
SMILESCSc1ccc2ncnc(N3CCC(O)(c4scnc4Br)CC3)c2c1
InChIInChI=1S/C17H17BrN4OS2/c1-24-11-2-3-13-12(8-11)16(20-9-19-13)22-6-4-17(23,5-7-22)14-15(18)21-10-25-14/h2-3,8-10,23H,4-7H2,1H3
InChIKeyQIYUQWLVUMOHIR-UHFFFAOYSA-N
XLogP4.06
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol with MolForge

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Related Compounds

4-(4-chlorophenyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167921455
4-cyclohexyl-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol
CID 167836092
9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.6]undecane
CID 167828850
methyl 3-(6-methylsulfanylquinazolin-4-yl)-3-azaspiro[5.5]undecane-9-carboxylate
CID 167882933
2-(6-methylsulfanylquinazolin-4-yl)-6-oxa-2-azaspiro[4.5]dec-8-ene
CID 167874906
9-(6-methylsulfanylquinazolin-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 167748744
6-bromo-4-(6-methylsulfanylquinazolin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 167880400
7-methoxy-3-(6-methylsulfanylquinazolin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 167803937
4-(6-benzyl-2,6-diazaspiro[3.3]heptan-2-yl)-6-methylsulfanylquinazoline
CID 166361257
N-(5-chloro-2-pyridinyl)-1-(6-methylsulfanylquinazolin-4-yl)piperidine-4-carboxamide
CID 167785418
4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-6-methylsulfanylquinazoline
CID 167908748
1-(6-aminoquinazolin-4-yl)-4-methylazepan-4-ol
CID 107403605

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
The IUPAC name of 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol (CID 167902254) is 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol is CSc1ccc2ncnc(N3CCC(O)(c4scnc4Br)CC3)c2c1.
What is the InChIKey of 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
The InChIKey is QIYUQWLVUMOHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4OS2/c1-24-11-2-3-13-12(8-11)16(20-9-19-13)22-6-4-17(23,5-7-22)14-15(18)21-10-25-14/h2-3,8-10,23H,4-7H2,1H3.
What are the key properties of 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol?
4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol has a molecular weight of 437.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-thiazol-5-yl)-1-(6-methylsulfanylquinazolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 167902254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).