4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol

C27H24N4OS2 — CID 162640192

IUPAC4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol
SMILESCc1ccc(-c2nc(N)sc2C(c2ccc(O)cc2)c2sc(N)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C27H24N4OS2/c1-15-3-7-18(8-4-15)22-24(33-26(28)30-22)21(17-11-13-20(32)14-12-17)25-23(31-27(29)34-25)19-9-5-16(2)6-10-19/h3-14,21,32H,1-2H3,(H2,28,30)(H2,29,31)
InChIKeyURXAWVZKGLGMQC-UHFFFAOYSA-N
MW484.65 g/mol
LogP6.60
Rot. Bonds5

About 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol

4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol (PubChem CID 162640192) has the molecular formula C27H24N4OS2 and a molecular weight of 484.65 g/mol. Its IUPAC name is 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol
PubChem CID162640192
Molecular FormulaC27H24N4OS2
Molecular Weight484.65 g/mol
Exact Mass484.14
IUPAC Name4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol
SMILESCc1ccc(-c2nc(N)sc2C(c2ccc(O)cc2)c2sc(N)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C27H24N4OS2/c1-15-3-7-18(8-4-15)22-24(33-26(28)30-22)21(17-11-13-20(32)14-12-17)25-23(31-27(29)34-25)19-9-5-16(2)6-10-19/h3-14,21,32H,1-2H3,(H2,28,30)(H2,29,31)
InChIKeyURXAWVZKGLGMQC-UHFFFAOYSA-N
XLogP6.60
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.65
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(1-aminoethyl)-2-methyl-1,3-thiazol-4-yl]phenol
CID 82542124
4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 28864528
4-(4-methylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 11184721
4-methylphenol
CID 70549076
4-(4-chlorophenyl)-5-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2806464
1-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 82542174
4-[1-(4-methylphenyl)ethyl]phenol
CID 23036862
4-(2-amino-5-propan-2-yl-1,3-oxazol-4-yl)phenol
CID 105472326
4-methylphenol;2-methylpropane
CID 91606636
4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol
CID 82542113
ethane;4-(4-methylphenyl)phenol
CID 161379556
4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 82106741

Frequently Asked Questions

What is the IUPAC name of 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol (CID 162640192) is 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol is Cc1ccc(-c2nc(N)sc2C(c2ccc(O)cc2)c2sc(N)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol?
The InChIKey is URXAWVZKGLGMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4OS2/c1-15-3-7-18(8-4-15)22-24(33-26(28)30-22)21(17-11-13-20(32)14-12-17)25-23(31-27(29)34-25)19-9-5-16(2)6-10-19/h3-14,21,32H,1-2H3,(H2,28,30)(H2,29,31).
What are the key properties of 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol?
4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol has a molecular weight of 484.65 g/mol, XLogP of 6.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]phenol is sourced from PubChem (CID 162640192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).