4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine

C17H22N2OS — CID 174341504

IUPAC4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
SMILESCC(C)(C)c1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)14-6-4-13(5-7-14)15-12-21-16(18-15)19-8-10-20-11-9-19/h4-7,12H,8-11H2,1-3H3
InChIKeyIPEPXKKUHOGXLY-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.94
Rot. Bonds2

About 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine

4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 174341504) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
PubChem CID174341504
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
SMILESCC(C)(C)c1ccc(-c2csc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)14-6-4-13(5-7-14)15-12-21-16(18-15)19-8-10-20-11-9-19/h4-7,12H,8-11H2,1-3H3
InChIKeyIPEPXKKUHOGXLY-UHFFFAOYSA-N
XLogP3.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 17406696
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1447329
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 167843609
1-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)-3H-indol-2-one
CID 17467764
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 166427762
2,2-dimethyl-N-[[5-(2-morpholin-4-yl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 17455867
4-tert-butyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 31718296
6-[[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167811855

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine (CID 174341504) is 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine is CC(C)(C)c1ccc(-c2csc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is IPEPXKKUHOGXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,3)14-6-4-13(5-7-14)15-12-21-16(18-15)19-8-10-20-11-9-19/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 302.44 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 174341504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).