1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

C12H13ClN2S — CID 112642744

IUPAC1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2S/c1-14-12(6-11-7-15-8-16-11)9-3-2-4-10(13)5-9/h2-5,7-8,12,14H,6H2,1H3
InChIKeyBSALHWPZSUKHMH-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine

1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 112642744) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID112642744
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
SMILESCNC(Cc1cncs1)c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2S/c1-14-12(6-11-7-15-8-16-11)9-3-2-4-10(13)5-9/h2-5,7-8,12,14H,6H2,1H3
InChIKeyBSALHWPZSUKHMH-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-5-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030810
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114886134
2-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-1-ol
CID 112645258
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
1-(2-bromo-4-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114025371
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106755782
1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030468
1-(4-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642697
1-(2-chloro-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030273
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642771

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine (CID 112642744) is 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is CNC(Cc1cncs1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is BSALHWPZSUKHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-14-12(6-11-7-15-8-16-11)9-3-2-4-10(13)5-9/h2-5,7-8,12,14H,6H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine?
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 112642744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).