(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine

C9H12N4S — CID 66134319

IUPAC(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine
SMILESCCn1cncc1C(N)c1nccs1
InChIInChI=1S/C9H12N4S/c1-2-13-6-11-5-7(13)8(10)9-12-3-4-14-9/h3-6,8H,2,10H2,1H3
InChIKeyVGCLPBVCXCNNIL-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.41
Rot. Bonds3

About (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine

(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine (PubChem CID 66134319) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine
PubChem CID66134319
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine
SMILESCCn1cncc1C(N)c1nccs1
InChIInChI=1S/C9H12N4S/c1-2-13-6-11-5-7(13)8(10)9-12-3-4-14-9/h3-6,8H,2,10H2,1H3
InChIKeyVGCLPBVCXCNNIL-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 66135354
(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 66134318
(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 66134524
2-(3-methylimidazol-4-yl)-1,2-bis(1,3-thiazol-2-yl)ethanol
CID 57057171
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
2-amino-1-(3-ethylimidazol-4-yl)butan-1-ol
CID 66133374
(3-chlorothiophen-2-yl)-(3-ethylimidazol-4-yl)methanol
CID 107359083
(3-ethylimidazol-4-yl)-thiophen-2-ylmethanol
CID 66135577
3-amino-3-(3-ethylimidazol-4-yl)propanoic acid
CID 66132745
2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol
CID 115347562
2-(3-ethylimidazol-4-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 66133682
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574

Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine (CID 66134319) is (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine is CCn1cncc1C(N)c1nccs1.
What is the InChIKey of (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine?
The InChIKey is VGCLPBVCXCNNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-2-13-6-11-5-7(13)8(10)9-12-3-4-14-9/h3-6,8H,2,10H2,1H3.
What are the key properties of (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine?
(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 66134319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).