N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C11H16N4S — CID 115618906

IUPACN-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ncc[nH]1)c1nc(C)cs1
InChIInChI=1S/C11H16N4S/c1-3-9(11-15-8(2)7-16-11)14-6-10-12-4-5-13-10/h4-5,7,9,14H,3,6H2,1-2H3,(H,12,13)
InChIKeyZCIIEUAEWMWODT-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.42
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 115618906) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID115618906
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1ncc[nH]1)c1nc(C)cs1
InChIInChI=1S/C11H16N4S/c1-3-9(11-15-8(2)7-16-11)14-6-10-12-4-5-13-10/h4-5,7,9,14H,3,6H2,1-2H3,(H,12,13)
InChIKeyZCIIEUAEWMWODT-UHFFFAOYSA-N
XLogP2.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-1-amine
CID 115887446
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 119123873
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221
(1R)-N-(2-imidazol-1-ylethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 97353367
N-(1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 119111772
N-(1H-imidazol-2-ylmethyl)-1-phenylbutan-1-amine
CID 54976417
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 119123877
N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 115618906) is N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is CCC(NCc1ncc[nH]1)c1nc(C)cs1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is ZCIIEUAEWMWODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-9(11-15-8(2)7-16-11)14-6-10-12-4-5-13-10/h4-5,7,9,14H,3,6H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 115618906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).