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

C13H20N4S — CID 66132025

IUPACN-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1C(NCC)c1nc(C)cs1
InChIInChI=1S/C13H20N4S/c1-4-6-17-9-14-7-11(17)12(15-5-2)13-16-10(3)8-18-13/h7-9,12,15H,4-6H2,1-3H3
InChIKeyOTDIYXGQODICQS-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.76
Rot. Bonds6

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

N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine (PubChem CID 66132025) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine
PubChem CID66132025
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1C(NCC)c1nc(C)cs1
InChIInChI=1S/C13H20N4S/c1-4-6-17-9-14-7-11(17)12(15-5-2)13-16-10(3)8-18-13/h7-9,12,15H,4-6H2,1-3H3
InChIKeyOTDIYXGQODICQS-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66135355
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
N-[(3-methylimidazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66118401
(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 66134318
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-methylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66116491
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
(4-propan-2-yl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methanamine
CID 66131032
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)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 82901871

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine (CID 66132025) is N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine is CCCn1cncc1C(NCC)c1nc(C)cs1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine?
The InChIKey is OTDIYXGQODICQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-6-17-9-14-7-11(17)12(15-5-2)13-16-10(3)8-18-13/h7-9,12,15H,4-6H2,1-3H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine?
N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)-(3-propylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66132025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).