N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine

C16H22N2S — CID 43204647

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine
SMILESCc1nc(C(C)NCC(C)c2ccccc2)c(C)s1
InChIInChI=1S/C16H22N2S/c1-11(15-8-6-5-7-9-15)10-17-12(2)16-13(3)19-14(4)18-16/h5-9,11-12,17H,10H2,1-4H3
InChIKeyUTHGQOGOPORRGU-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.21
Rot. Bonds5

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine (PubChem CID 43204647) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine
PubChem CID43204647
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine
SMILESCc1nc(C(C)NCC(C)c2ccccc2)c(C)s1
InChIInChI=1S/C16H22N2S/c1-11(15-8-6-5-7-9-15)10-17-12(2)16-13(3)19-14(4)18-16/h5-9,11-12,17H,10H2,1-4H3
InChIKeyUTHGQOGOPORRGU-UHFFFAOYSA-N
XLogP4.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43104171
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43109519
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205593
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79547946
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]ethanamine
CID 60924424
1-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43207976
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N-[(1S)-1-(3-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 81364263

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine (CID 43204647) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine is Cc1nc(C(C)NCC(C)c2ccccc2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine?
The InChIKey is UTHGQOGOPORRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(15-8-6-5-7-9-15)10-17-12(2)16-13(3)19-14(4)18-16/h5-9,11-12,17H,10H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 43204647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).