N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine

C12H18N4S — CID 66135355

IUPACN-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)cs1)c1cncn1CC
InChIInChI=1S/C12H18N4S/c1-4-14-11(12-15-9(3)7-17-12)10-6-13-8-16(10)5-2/h6-8,11,14H,4-5H2,1-3H3
InChIKeyXNKOBTGNECLSJX-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.37
Rot. Bonds5

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

N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 66135355) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID66135355
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C)cs1)c1cncn1CC
InChIInChI=1S/C12H18N4S/c1-4-14-11(12-15-9(3)7-17-12)10-6-13-8-16(10)5-2/h6-8,11,14H,4-5H2,1-3H3
InChIKeyXNKOBTGNECLSJX-UHFFFAOYSA-N
XLogP2.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine
CID 66132025
(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 66134318
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
N-[(3-ethylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66135561
N-[(3-ethylimidazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 66135354
N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66133298
N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66118401
N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61346978
N-[(3-cyclopropylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66140055
N-[(3-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66116491
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
CID 66133712
(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 66134524

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 66135355) is N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C)cs1)c1cncn1CC.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is XNKOBTGNECLSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-14-11(12-15-9(3)7-17-12)10-6-13-8-16(10)5-2/h6-8,11,14H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.37, 5 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-methyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 66135355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).