2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol

C19H27N3O3S — CID 91323801

IUPAC2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol
SMILESCc1ccc(OCCN2CCOCC2)cc1Nc1nc(O)c(C(C)C)s1
InChIInChI=1S/C19H27N3O3S/c1-13(2)17-18(23)21-19(26-17)20-16-12-15(5-4-14(16)3)25-11-8-22-6-9-24-10-7-22/h4-5,12-13,23H,6-11H2,1-3H3,(H,20,21)
InChIKeyPFZAUKUQDAETNO-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.74
Rot. Bonds7

About 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol

2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol (PubChem CID 91323801) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol
PubChem CID91323801
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol
SMILESCc1ccc(OCCN2CCOCC2)cc1Nc1nc(O)c(C(C)C)s1
InChIInChI=1S/C19H27N3O3S/c1-13(2)17-18(23)21-19(26-17)20-16-12-15(5-4-14(16)3)25-11-8-22-6-9-24-10-7-22/h4-5,12-13,23H,6-11H2,1-3H3,(H,20,21)
InChIKeyPFZAUKUQDAETNO-UHFFFAOYSA-N
XLogP3.74
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
CID 90993901
methyl 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 143419572
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine
CID 122444638
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol?
The IUPAC name of 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol (CID 91323801) is 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol?
The canonical SMILES for 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol is Cc1ccc(OCCN2CCOCC2)cc1Nc1nc(O)c(C(C)C)s1.
What is the InChIKey of 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol?
The InChIKey is PFZAUKUQDAETNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-13(2)17-18(23)21-19(26-17)20-16-12-15(5-4-14(16)3)25-11-8-22-6-9-24-10-7-22/h4-5,12-13,23H,6-11H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol?
2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol has a molecular weight of 377.51 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-5-propan-2-yl-1,3-thiazol-4-ol is sourced from PubChem (CID 91323801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).