1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol

C15H19ClN2O2S — CID 103714641

IUPAC1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCC(C)(NCC(O)COc1ccc(Cl)cc1)c1nccs1
InChIInChI=1S/C15H19ClN2O2S/c1-15(2,14-17-7-8-21-14)18-9-12(19)10-20-13-5-3-11(16)4-6-13/h3-8,12,18-19H,9-10H2,1-2H3
InChIKeyNEMDUADRLSYNRR-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.06
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol

1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (PubChem CID 103714641) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
PubChem CID103714641
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
SMILESCC(C)(NCC(O)COc1ccc(Cl)cc1)c1nccs1
InChIInChI=1S/C15H19ClN2O2S/c1-15(2,14-17-7-8-21-14)18-9-12(19)10-20-13-5-3-11(16)4-6-13/h3-8,12,18-19H,9-10H2,1-2H3
InChIKeyNEMDUADRLSYNRR-UHFFFAOYSA-N
XLogP3.06
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828789
1-[2-(1,3-thiazol-2-yl)propan-2-ylamino]-3-(2,3,6-trimethylphenoxy)propan-2-ol
CID 111496556
1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714693
1-phenylmethoxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828812
1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828788
1-(4-chlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581085
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
N-[(5-chloro-2-fluorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103845068
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol (CID 103714641) is 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is CC(C)(NCC(O)COc1ccc(Cl)cc1)c1nccs1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
The InChIKey is NEMDUADRLSYNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-15(2,14-17-7-8-21-14)18-9-12(19)10-20-13-5-3-11(16)4-6-13/h3-8,12,18-19H,9-10H2,1-2H3.
What are the key properties of 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol?
1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol has a molecular weight of 326.85 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 103714641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).