[2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol

C14H18N2OS — CID 131867522

IUPAC[2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(C)c(-c2nc(N(C)C)sc2CO)c1
InChIInChI=1S/C14H18N2OS/c1-9-5-6-10(2)11(7-9)13-12(8-17)18-14(15-13)16(3)4/h5-7,17H,8H2,1-4H3
InChIKeyKOPBSPDDRDFNPT-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.99
Rot. Bonds3

About [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol

[2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 131867522) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID131867522
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(C)c(-c2nc(N(C)C)sc2CO)c1
InChIInChI=1S/C14H18N2OS/c1-9-5-6-10(2)11(7-9)13-12(8-17)18-14(15-13)16(3)4/h5-7,17H,8H2,1-4H3
InChIKeyKOPBSPDDRDFNPT-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol (CID 131867522) is [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol is Cc1ccc(C)c(-c2nc(N(C)C)sc2CO)c1.
What is the InChIKey of [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is KOPBSPDDRDFNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-6-10(2)11(7-9)13-12(8-17)18-14(15-13)16(3)4/h5-7,17H,8H2,1-4H3.
What are the key properties of [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol?
[2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 262.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-(2,5-dimethylphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131867522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).