2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine

C14H17ClN2OS — CID 55019516

IUPAC2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
SMILESCc1ncsc1CCOC(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2OS/c1-10-14(19-9-17-10)5-6-18-13(8-16)11-3-2-4-12(15)7-11/h2-4,7,9,13H,5-6,8,16H2,1H3
InChIKeyKAFCNBCHPRQJRS-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.36
Rot. Bonds6

About 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine

2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine (PubChem CID 55019516) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
PubChem CID55019516
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
SMILESCc1ncsc1CCOC(CN)c1cccc(Cl)c1
InChIInChI=1S/C14H17ClN2OS/c1-10-14(19-9-17-10)5-6-18-13(8-16)11-3-2-4-12(15)7-11/h2-4,7,9,13H,5-6,8,16H2,1H3
InChIKeyKAFCNBCHPRQJRS-UHFFFAOYSA-N
XLogP3.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
CID 55016555
(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79442661
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62072174
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 124613569
2-(3-chlorophenyl)-2-(2-ethylbutoxy)ethanamine
CID 114208280
2-(3-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79443219
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896
4-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarbothioamide
CID 55181570

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine (CID 55019516) is 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine is Cc1ncsc1CCOC(CN)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine?
The InChIKey is KAFCNBCHPRQJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-10-14(19-9-17-10)5-6-18-13(8-16)11-3-2-4-12(15)7-11/h2-4,7,9,13H,5-6,8,16H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine?
2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine has a molecular weight of 296.82 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine is sourced from PubChem (CID 55019516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).