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

C17H22N2O2S — CID 143535272

IUPAC[2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(-c2nc(CN3CCOCC3)c(CO)s2)cc1C
InChIInChI=1S/C17H22N2O2S/c1-12-3-4-14(9-13(12)2)17-18-15(16(11-20)22-17)10-19-5-7-21-8-6-19/h3-4,9,20H,5-8,10-11H2,1-2H3
InChIKeyPUVMILJBGOUYFV-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.75
Rot. Bonds4

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

[2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 143535272) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
PubChem CID143535272
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name[2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(-c2nc(CN3CCOCC3)c(CO)s2)cc1C
InChIInChI=1S/C17H22N2O2S/c1-12-3-4-14(9-13(12)2)17-18-15(16(11-20)22-17)10-19-5-7-21-8-6-19/h3-4,9,20H,5-8,10-11H2,1-2H3
InChIKeyPUVMILJBGOUYFV-UHFFFAOYSA-N
XLogP2.75
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol (CID 143535272) is [2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol is Cc1ccc(-c2nc(CN3CCOCC3)c(CO)s2)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is PUVMILJBGOUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-12-3-4-14(9-13(12)2)17-18-15(16(11-20)22-17)10-19-5-7-21-8-6-19/h3-4,9,20H,5-8,10-11H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol?
[2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 318.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)-4-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 143535272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).