N-benzyl-4-ethyl-1,3-thiazol-5-amine

C12H14N2S — CID 175257011

IUPACN-benzyl-4-ethyl-1,3-thiazol-5-amine
SMILESCCc1ncsc1NCc1ccccc1
InChIInChI=1S/C12H14N2S/c1-2-11-12(15-9-14-11)13-8-10-6-4-3-5-7-10/h3-7,9,13H,2,8H2,1H3
InChIKeySHOZVOZLPBTLGF-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.32
Rot. Bonds4

About N-benzyl-4-ethyl-1,3-thiazol-5-amine

N-benzyl-4-ethyl-1,3-thiazol-5-amine (PubChem CID 175257011) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is N-benzyl-4-ethyl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-benzyl-4-ethyl-1,3-thiazol-5-amine
PubChem CID175257011
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC NameN-benzyl-4-ethyl-1,3-thiazol-5-amine
SMILESCCc1ncsc1NCc1ccccc1
InChIInChI=1S/C12H14N2S/c1-2-11-12(15-9-14-11)13-8-10-6-4-3-5-7-10/h3-7,9,13H,2,8H2,1H3
InChIKeySHOZVOZLPBTLGF-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-ethylpyridin-2-amine
CID 53404811
2-N-benzyl-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589426
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
1-[2-(benzylamino)thiophen-3-yl]ethanone
CID 130875464
5-N-benzyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103363458
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916
5-(pyridin-4-ylmethylamino)-1,3-thiazole-4-carboxylic acid
CID 64630479
N-benzyl-4-tert-butyl-6-methyl-1,3,5-triazin-2-amine
CID 86220386
4-(aminomethyl)-N-benzyl-1,3-thiazol-2-amine
CID 84684942
5-[(3-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64630076
4-(2-phenylethyl)-1,3-thiazol-5-amine
CID 62880575
N-benzyl-2-chloro-5-ethylpyrimidin-4-amine
CID 122630775

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethyl-1,3-thiazol-5-amine?
The IUPAC name of N-benzyl-4-ethyl-1,3-thiazol-5-amine (CID 175257011) is N-benzyl-4-ethyl-1,3-thiazol-5-amine.
What is the SMILES notation for N-benzyl-4-ethyl-1,3-thiazol-5-amine?
The canonical SMILES for N-benzyl-4-ethyl-1,3-thiazol-5-amine is CCc1ncsc1NCc1ccccc1.
What is the InChIKey of N-benzyl-4-ethyl-1,3-thiazol-5-amine?
The InChIKey is SHOZVOZLPBTLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-11-12(15-9-14-11)13-8-10-6-4-3-5-7-10/h3-7,9,13H,2,8H2,1H3.
What are the key properties of N-benzyl-4-ethyl-1,3-thiazol-5-amine?
N-benzyl-4-ethyl-1,3-thiazol-5-amine has a molecular weight of 218.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethyl-1,3-thiazol-5-amine is sourced from PubChem (CID 175257011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).