N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine

C10H14N4S — CID 104588712

IUPACN-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cnc[nH]1)c1nccs1
InChIInChI=1S/C10H14N4S/c1-8(10-13-2-3-15-10)4-11-5-9-6-12-7-14-9/h2-3,6-8,11H,4-5H2,1H3,(H,12,14)
InChIKeyACUMOXZKPAZZGE-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.76
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine

N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104588712) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104588712
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cnc[nH]1)c1nccs1
InChIInChI=1S/C10H14N4S/c1-8(10-13-2-3-15-10)4-11-5-9-6-12-7-14-9/h2-3,6-8,11H,4-5H2,1H3,(H,12,14)
InChIKeyACUMOXZKPAZZGE-UHFFFAOYSA-N
XLogP1.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(1H-imidazol-5-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62761952
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63965505
N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
N-(1H-imidazol-5-ylmethyl)-2-methyl-3-thiophen-2-ylpropan-1-amine
CID 115655102
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 114127097
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588596
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869
N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588659

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104588712) is N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine is CC(CNCc1cnc[nH]1)c1nccs1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is ACUMOXZKPAZZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-8(10-13-2-3-15-10)4-11-5-9-6-12-7-14-9/h2-3,6-8,11H,4-5H2,1H3,(H,12,14).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine?
N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 222.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104588712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).