1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine

C16H21ClN2OS — CID 105169535

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
SMILESCC(C)(C)c1csc(CC(N)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN2OS/c1-16(2,3)14-10-21-15(19-14)8-12(18)9-20-13-6-4-11(17)5-7-13/h4-7,10,12H,8-9,18H2,1-3H3
InChIKeyJDYOGHKSGJNWDG-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.04
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine (PubChem CID 105169535) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
PubChem CID105169535
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
SMILESCC(C)(C)c1csc(CC(N)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H21ClN2OS/c1-16(2,3)14-10-21-15(19-14)8-12(18)9-20-13-6-4-11(17)5-7-13/h4-7,10,12H,8-9,18H2,1-3H3
InChIKeyJDYOGHKSGJNWDG-UHFFFAOYSA-N
XLogP4.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-amine
CID 79819973
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methyl-3-phenoxypropan-2-amine
CID 79825542
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)ethanamine
CID 79819506
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
4-tert-butyl-2-[3-[(4-chlorophenoxy)methyl]thiophen-2-yl]-1,3-thiazole
CID 2739627
1-(1,3-benzothiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine
CID 105169677
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 79820438
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-2-amine
CID 79820432
1-(2-amino-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 79820270
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 79819502

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine (CID 105169535) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine is CC(C)(C)c1csc(CC(N)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine?
The InChIKey is JDYOGHKSGJNWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-16(2,3)14-10-21-15(19-14)8-12(18)9-20-13-6-4-11(17)5-7-13/h4-7,10,12H,8-9,18H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine has a molecular weight of 324.88 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenoxy)propan-2-amine is sourced from PubChem (CID 105169535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).