[4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol

C14H18N2OS — CID 55117860

IUPAC[4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(N(C)c2nc(C)c(CO)s2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-9-5-6-12(10(2)7-9)16(4)14-15-11(3)13(8-17)18-14/h5-7,17H,8H2,1-4H3
InChIKeyACCDNPZOONOSBK-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.33
Rot. Bonds3

About [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol

[4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol (PubChem CID 55117860) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol
PubChem CID55117860
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(N(C)c2nc(C)c(CO)s2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-9-5-6-12(10(2)7-9)16(4)14-15-11(3)13(8-17)18-14/h5-7,17H,8H2,1-4H3
InChIKeyACCDNPZOONOSBK-UHFFFAOYSA-N
XLogP3.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol (CID 55117860) is [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol is Cc1ccc(N(C)c2nc(C)c(CO)s2)c(C)c1.
What is the InChIKey of [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol?
The InChIKey is ACCDNPZOONOSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-6-12(10(2)7-9)16(4)14-15-11(3)13(8-17)18-14/h5-7,17H,8H2,1-4H3.
What are the key properties of [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol?
[4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol has a molecular weight of 262.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).