5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine

C9H12N4S — CID 79737828

IUPAC5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCn1ccnc1Cc1cnc(N)s1
InChIInChI=1S/C9H12N4S/c1-2-13-4-3-11-8(13)5-7-6-12-9(10)14-7/h3-4,6H,2,5H2,1H3,(H2,10,12)
InChIKeyCQUFMZNQAORLCM-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.53
Rot. Bonds3

About 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine

5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79737828) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79737828
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCn1ccnc1Cc1cnc(N)s1
InChIInChI=1S/C9H12N4S/c1-2-13-4-3-11-8(13)5-7-6-12-9(10)14-7/h3-4,6H,2,5H2,1H3,(H2,10,12)
InChIKeyCQUFMZNQAORLCM-UHFFFAOYSA-N
XLogP1.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-ethylimidazol-2-one
CID 80583223
5-[[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120899856
3-[(1-ethylimidazol-2-yl)methyl]-5-methylpyridin-2-amine
CID 79761192
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
2-[(1-ethylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 116795282
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
3-chloro-4-[(1-ethylimidazol-2-yl)methyl]aniline
CID 107615879
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120898537
(1-ethylimidazol-2-yl)-trimethylsilane
CID 45118403
4-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2,5-thiadiazol-3-amine
CID 79737968
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 79737828) is 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine is CCn1ccnc1Cc1cnc(N)s1.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CQUFMZNQAORLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-2-13-4-3-11-8(13)5-7-6-12-9(10)14-7/h3-4,6H,2,5H2,1H3,(H2,10,12).
What are the key properties of 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylimidazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79737828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).