N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

C15H22N4S — CID 66133913

IUPACN-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)c2cncn2CC)sc1C
InChIInChI=1S/C15H22N4S/c1-4-12-10(3)20-15(18-12)14(17-11-6-7-11)13-8-16-9-19(13)5-2/h8-9,11,14,17H,4-7H2,1-3H3
InChIKeyNQUGGDGDQONKHK-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.07
Rot. Bonds6

About N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 66133913) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID66133913
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCCc1nc(C(NC2CC2)c2cncn2CC)sc1C
InChIInChI=1S/C15H22N4S/c1-4-12-10(3)20-15(18-12)14(17-11-6-7-11)13-8-16-9-19(13)5-2/h8-9,11,14,17H,4-7H2,1-3H3
InChIKeyNQUGGDGDQONKHK-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 66133913) is N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is CCc1nc(C(NC2CC2)c2cncn2CC)sc1C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is NQUGGDGDQONKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-4-12-10(3)20-15(18-12)14(17-11-6-7-11)13-8-16-9-19(13)5-2/h8-9,11,14,17H,4-7H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 290.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66133913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).