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

C13H20N4S — CID 66118401

IUPACN-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)c1cncn1C
InChIInChI=1S/C13H20N4S/c1-5-15-12(11-6-14-8-17(11)4)13-16-10(7-18-13)9(2)3/h6-9,12,15H,5H2,1-4H3
InChIKeyHGDCIKBXNWGNDQ-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.70
Rot. Bonds5

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

N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 66118401) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID66118401
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)c1cncn1C
InChIInChI=1S/C13H20N4S/c1-5-15-12(11-6-14-8-17(11)4)13-16-10(7-18-13)9(2)3/h6-9,12,15H,5H2,1-4H3
InChIKeyHGDCIKBXNWGNDQ-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66140055
N-[(3-ethylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66133298
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115990377
N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine
CID 66132025
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 82901871
N-methyl-1-(3-propan-2-ylimidazol-4-yl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 66164220
N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66135355
(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine
CID 66131032
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-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331430
N-[(3-methylimidazol-4-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 82902463

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 66118401) is N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C(C)C)cs1)c1cncn1C.
What is the InChIKey of N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is HGDCIKBXNWGNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-5-15-12(11-6-14-8-17(11)4)13-16-10(7-18-13)9(2)3/h6-9,12,15H,5H2,1-4H3.
What are the key properties of N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 66118401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).