1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine

C14H17ClN2O2S — CID 104666966

IUPAC1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
SMILESCOc1cc(Cl)cc(CC(C)N)c1OCc1cncs1
InChIInChI=1S/C14H17ClN2O2S/c1-9(16)3-10-4-11(15)5-13(18-2)14(10)19-7-12-6-17-8-20-12/h4-6,8-9H,3,7,16H2,1-2H3
InChIKeyNZIGGSGMLKTQTJ-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.27
Rot. Bonds6

About 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine

1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine (PubChem CID 104666966) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
PubChem CID104666966
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
SMILESCOc1cc(Cl)cc(CC(C)N)c1OCc1cncs1
InChIInChI=1S/C14H17ClN2O2S/c1-9(16)3-10-4-11(15)5-13(18-2)14(10)19-7-12-6-17-8-20-12/h4-6,8-9H,3,7,16H2,1-2H3
InChIKeyNZIGGSGMLKTQTJ-UHFFFAOYSA-N
XLogP3.27
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-[3,5-dibromo-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 107739833
1-[5-chloro-3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 104667037
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
5-[[2-(bromomethyl)-4,6-dichlorophenoxy]methyl]-1,3-thiazole
CID 112641139
N-[[3,5-dichloro-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115978897
1-(5-chloro-3-methoxy-2-pent-3-ynoxyphenyl)propan-2-amine
CID 104808085
5-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641131
1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 104667097
1-[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]butan-2-amine
CID 104667100
1-[3-bromo-5-ethoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 115979305

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine (CID 104666966) is 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine is COc1cc(Cl)cc(CC(C)N)c1OCc1cncs1.
What is the InChIKey of 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is NZIGGSGMLKTQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-9(16)3-10-4-11(15)5-13(18-2)14(10)19-7-12-6-17-8-20-12/h4-6,8-9H,3,7,16H2,1-2H3.
What are the key properties of 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine?
1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 312.82 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 104666966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).