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

C15H24N4S — CID 66133298

IUPACN-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCn1cncc1C(NC(C)C)c1nc(C(C)C)cs1
InChIInChI=1S/C15H24N4S/c1-6-19-9-16-7-13(19)14(17-11(4)5)15-18-12(8-20-15)10(2)3/h7-11,14,17H,6H2,1-5H3
InChIKeySDTHEMWCFWBDJZ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.57
Rot. Bonds6

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

N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 66133298) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID66133298
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCn1cncc1C(NC(C)C)c1nc(C(C)C)cs1
InChIInChI=1S/C15H24N4S/c1-6-19-9-16-7-13(19)14(17-11(4)5)15-18-12(8-20-15)10(2)3/h7-11,14,17H,6H2,1-5H3
InChIKeySDTHEMWCFWBDJZ-UHFFFAOYSA-N
XLogP3.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-propan-2-ylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66162436
(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 66134524
N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66118401
N-[(3-ethylimidazol-4-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 66133506
(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine
CID 66131032
N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66135355
N-[(3-cyclopropylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66140055
N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 66164220
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
N-[(4-ethylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334433
N-[(4-propan-2-yl-1,3-thiazol-2-yl)-pyridin-3-ylmethyl]propan-2-amine
CID 61336198
N-[(4-propan-2-yl-1,3-thiazol-2-yl)-thiophen-2-ylmethyl]propan-2-amine
CID 61347725

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 66133298) is N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine is CCn1cncc1C(NC(C)C)c1nc(C(C)C)cs1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is SDTHEMWCFWBDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-19-9-16-7-13(19)14(17-11(4)5)15-18-12(8-20-15)10(2)3/h7-11,14,17H,6H2,1-5H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.57, 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-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66133298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).