[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine

C13H16N2S — CID 58112094

IUPAC[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
SMILESCc1nc(CCc2ccc(CN)cc2)cs1
InChIInChI=1S/C13H16N2S/c1-10-15-13(9-16-10)7-6-11-2-4-12(8-14)5-3-11/h2-5,9H,6-8,14H2,1H3
InChIKeyQKHGNNIBZDOZGI-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.70
Rot. Bonds4

About [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine

[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine (PubChem CID 58112094) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
PubChem CID58112094
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
SMILESCc1nc(CCc2ccc(CN)cc2)cs1
InChIInChI=1S/C13H16N2S/c1-10-15-13(9-16-10)7-6-11-2-4-12(8-14)5-3-11/h2-5,9H,6-8,14H2,1H3
InChIKeyQKHGNNIBZDOZGI-UHFFFAOYSA-N
XLogP2.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
CID 58762168
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfonamide
CID 130905513
4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 58112081
[4-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 106044942
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methyl 2-aminoacetate;hydrochloride
CID 161422246
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 30049651

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
The IUPAC name of [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine (CID 58112094) is [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine is Cc1nc(CCc2ccc(CN)cc2)cs1.
What is the InChIKey of [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
The InChIKey is QKHGNNIBZDOZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-15-13(9-16-10)7-6-11-2-4-12(8-14)5-3-11/h2-5,9H,6-8,14H2,1H3.
What are the key properties of [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine?
[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine has a molecular weight of 232.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 58112094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).