1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine

C12H14N2S — CID 105084585

IUPAC1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine
SMILESCc1ncsc1C(N)Cc1ccccc1
InChIInChI=1S/C12H14N2S/c1-9-12(15-8-14-9)11(13)7-10-5-3-2-4-6-10/h2-6,8,11H,7,13H2,1H3
InChIKeyLGVNCJAIEQJVOC-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.69
Rot. Bonds3

About 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine

1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine (PubChem CID 105084585) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine
PubChem CID105084585
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine
SMILESCc1ncsc1C(N)Cc1ccccc1
InChIInChI=1S/C12H14N2S/c1-9-12(15-8-14-9)11(13)7-10-5-3-2-4-6-10/h2-6,8,11H,7,13H2,1H3
InChIKeyLGVNCJAIEQJVOC-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-5-yl)-2-quinolin-2-ylethanamine
CID 105159187
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445
1-(4-methyl-1,3-thiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177899
2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105135057
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63838007
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
2-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119876567
2-ethyl-1-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 105168486
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
(4-methyl-1,3-thiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145408

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine (CID 105084585) is 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine is Cc1ncsc1C(N)Cc1ccccc1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine?
The InChIKey is LGVNCJAIEQJVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-9-12(15-8-14-9)11(13)7-10-5-3-2-4-6-10/h2-6,8,11H,7,13H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine?
1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine has a molecular weight of 218.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanamine is sourced from PubChem (CID 105084585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).