[2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol

C20H18N4O2S — CID 133487804

IUPAC[2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol
SMILESCOc1ccc(-c2nnc(NCc3nc(CO)cs3)c3ccccc23)cc1
InChIInChI=1S/C20H18N4O2S/c1-26-15-8-6-13(7-9-15)19-16-4-2-3-5-17(16)20(24-23-19)21-10-18-22-14(11-25)12-27-18/h2-9,12,25H,10-11H2,1H3,(H,21,24)
InChIKeyUQADSMDDNVFHJI-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.87
Rot. Bonds6

About [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol

[2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol (PubChem CID 133487804) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol
PubChem CID133487804
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name[2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol
SMILESCOc1ccc(-c2nnc(NCc3nc(CO)cs3)c3ccccc23)cc1
InChIInChI=1S/C20H18N4O2S/c1-26-15-8-6-13(7-9-15)19-16-4-2-3-5-17(16)20(24-23-19)21-10-18-22-14(11-25)12-27-18/h2-9,12,25H,10-11H2,1H3,(H,21,24)
InChIKeyUQADSMDDNVFHJI-UHFFFAOYSA-N
XLogP3.87
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine
CID 51362150
N-[(4-methoxyphenyl)methyl]-4-(4-propylphenyl)phthalazin-1-amine
CID 162720636
2-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenol
CID 135426072
N-(2-methoxyethyl)-4-phenylphthalazin-1-amine
CID 6405351
4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 6407153
[2-[[(3-nitro-2-pyridinyl)amino]methyl]-1,3-thiazol-4-yl]methanol
CID 133487746
4-(3-chlorothiophen-2-yl)-N-ethylphthalazin-1-amine
CID 107360998
[2-[[3-(4,5-dimethyl-1,2,4-triazol-3-yl)anilino]methyl]-1,3-thiazol-4-yl]methanol
CID 146145104
1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
CID 66731672
N-tert-butyl-3,4-bis(4-methoxyphenyl)isoquinolin-1-amine
CID 122214708
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
3-[[4-(4-methylphenyl)phthalazin-1-yl]amino]propanoic acid
CID 82192890

Frequently Asked Questions

What is the IUPAC name of [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol (CID 133487804) is [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol is COc1ccc(-c2nnc(NCc3nc(CO)cs3)c3ccccc23)cc1.
What is the InChIKey of [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is UQADSMDDNVFHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-26-15-8-6-13(7-9-15)19-16-4-2-3-5-17(16)20(24-23-19)21-10-18-22-14(11-25)12-27-18/h2-9,12,25H,10-11H2,1H3,(H,21,24).
What are the key properties of [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol?
[2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 378.46 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]methyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 133487804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).