(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine

C12H17N3S — CID 79808047

IUPAC(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1cscc1C
InChIInChI=1S/C12H17N3S/c1-3-5-15-6-4-14-12(15)11(13)10-8-16-7-9(10)2/h4,6-8,11H,3,5,13H2,1-2H3
InChIKeyKEWCOBWDISXMRD-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.71
Rot. Bonds4

About (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine

(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine (PubChem CID 79808047) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine
PubChem CID79808047
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)c1cscc1C
InChIInChI=1S/C12H17N3S/c1-3-5-15-6-4-14-12(15)11(13)10-8-16-7-9(10)2/h4,6-8,11H,3,5,13H2,1-2H3
InChIKeyKEWCOBWDISXMRD-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979
(2-chlorofuran-3-yl)-(1-propylimidazol-2-yl)methanamine
CID 106689402
(4-chloro-2-fluorophenyl)-(1-propylimidazol-2-yl)methanamine
CID 61316093
(1-propylimidazol-2-yl)-quinoxalin-5-ylmethanamine
CID 104615599
[2-methylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105213893
N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79808147
[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251798
[2-(2-methylphenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105237408
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone
CID 79807838
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
(6-bromonaphthalen-2-yl)-(1-propylimidazol-2-yl)methanamine
CID 115354391
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine (CID 79808047) is (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(N)c1cscc1C.
What is the InChIKey of (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine?
The InChIKey is KEWCOBWDISXMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-5-15-6-4-14-12(15)11(13)10-8-16-7-9(10)2/h4,6-8,11H,3,5,13H2,1-2H3.
What are the key properties of (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine?
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine has a molecular weight of 235.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 79808047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).