1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

C11H16N4S — CID 66129392

IUPAC1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCCCn1cncc1CNCc1cscn1
InChIInChI=1S/C11H16N4S/c1-2-3-15-8-13-6-11(15)5-12-4-10-7-16-9-14-10/h6-9,12H,2-5H2,1H3
InChIKeyMOXSCCPUJHSUOS-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.04
Rot. Bonds6

About 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 66129392) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID66129392
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCCCn1cncc1CNCc1cscn1
InChIInChI=1S/C11H16N4S/c1-2-3-15-8-13-6-11(15)5-12-4-10-7-16-9-14-10/h6-9,12H,2-5H2,1H3
InChIKeyMOXSCCPUJHSUOS-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106009505
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 114180159
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648818
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 66129988
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 66129392) is 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is CCCn1cncc1CNCc1cscn1.
What is the InChIKey of 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is MOXSCCPUJHSUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-2-3-15-8-13-6-11(15)5-12-4-10-7-16-9-14-10/h6-9,12H,2-5H2,1H3.
What are the key properties of 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 236.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylimidazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 66129392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).