N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine

C16H18N4S — CID 106579895

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine
SMILESCCc1cnc(C(C)Nc2nccn2-c2ccccc2)s1
InChIInChI=1S/C16H18N4S/c1-3-14-11-18-15(21-14)12(2)19-16-17-9-10-20(16)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,19)
InChIKeyGHZAATNLSPMKKN-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.06
Rot. Bonds5

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

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine (PubChem CID 106579895) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine
PubChem CID106579895
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine
SMILESCCc1cnc(C(C)Nc2nccn2-c2ccccc2)s1
InChIInChI=1S/C16H18N4S/c1-3-14-11-18-15(21-14)12(2)19-16-17-9-10-20(16)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,19)
InChIKeyGHZAATNLSPMKKN-UHFFFAOYSA-N
XLogP4.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-methylpyrazin-2-one
CID 113251679
4-chloro-5-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-2-phenylpyridazin-3-one
CID 133335715
(E)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-phenylprop-2-en-1-amine
CID 112696883
N-(3,3-dimethylbutan-2-yl)-1-phenylimidazol-2-amine
CID 106580867
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 112551903
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269859
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-iodopyrimidin-2-amine
CID 104844066
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylic acid
CID 113387337
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1H-benzimidazol-2-amine
CID 112547613
5-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 115681173
2-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 113387591

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine (CID 106579895) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine is CCc1cnc(C(C)Nc2nccn2-c2ccccc2)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine?
The InChIKey is GHZAATNLSPMKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-14-11-18-15(21-14)12(2)19-16-17-9-10-20(16)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine has a molecular weight of 298.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-phenylimidazol-2-amine is sourced from PubChem (CID 106579895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).