[5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol

C18H16N4O2S — CID 44968229

IUPAC[5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol
SMILESCc1nc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)cs1
InChIInChI=1S/C18H16N4O2S/c1-11-22-13(9-25-11)7-19-18-15-6-12(2-4-16(15)20-10-21-18)17-5-3-14(8-23)24-17/h2-6,9-10,23H,7-8H2,1H3,(H,19,20,21)
InChIKeyBEBHQWLIHVJACK-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.76
Rot. Bonds5

About [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol

[5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol (PubChem CID 44968229) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol
PubChem CID44968229
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name[5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol
SMILESCc1nc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)cs1
InChIInChI=1S/C18H16N4O2S/c1-11-22-13(9-25-11)7-19-18-15-6-12(2-4-16(15)20-10-21-18)17-5-3-14(8-23)24-17/h2-6,9-10,23H,7-8H2,1H3,(H,19,20,21)
InChIKeyBEBHQWLIHVJACK-UHFFFAOYSA-N
XLogP3.76
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol?
The IUPAC name of [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol (CID 44968229) is [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol.
What is the SMILES notation for [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol?
The canonical SMILES for [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol is Cc1nc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)cs1.
What is the InChIKey of [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol?
The InChIKey is BEBHQWLIHVJACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-11-22-13(9-25-11)7-19-18-15-6-12(2-4-16(15)20-10-21-18)17-5-3-14(8-23)24-17/h2-6,9-10,23H,7-8H2,1H3,(H,19,20,21).
What are the key properties of [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol?
[5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol has a molecular weight of 352.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol is sourced from PubChem (CID 44968229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).