1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine

C9H12N4S — CID 63831198

IUPAC1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
SMILESCCn1ccnc1NCc1cscn1
InChIInChI=1S/C9H12N4S/c1-2-13-4-3-10-9(13)11-5-8-6-14-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,10,11)
InChIKeyCSSPJKCRZGVYDN-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.97
Rot. Bonds4

About 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine

1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine (PubChem CID 63831198) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
PubChem CID63831198
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
SMILESCCn1ccnc1NCc1cscn1
InChIInChI=1S/C9H12N4S/c1-2-13-4-3-10-9(13)11-5-8-6-14-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,10,11)
InChIKeyCSSPJKCRZGVYDN-UHFFFAOYSA-N
XLogP1.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 106572554
3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 71967970
N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830781
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
CID 62139521
1-methyl-N-(1,3-thiazol-4-ylmethyl)tetrazol-5-amine
CID 63718090
4,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
CID 131067677
1-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]imidazol-2-amine
CID 62139154
1-ethyl-N-[(1-methylpyrazol-4-yl)methyl]imidazol-2-amine
CID 62136959
2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845296
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)oxan-3-amine
CID 128993767

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine (CID 63831198) is 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine is CCn1ccnc1NCc1cscn1.
What is the InChIKey of 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine?
The InChIKey is CSSPJKCRZGVYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-2-13-4-3-10-9(13)11-5-8-6-14-7-12-8/h3-4,6-7H,2,5H2,1H3,(H,10,11).
What are the key properties of 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine?
1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 63831198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).