N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine

C18H19N5S — CID 129403573

IUPACN-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(CCN[C@@H](c2ncc[nH]2)c2cccs2)c2ccccc21
InChIInChI=1S/C18H19N5S/c1-23-15-6-3-2-5-13(15)14(22-23)8-9-19-17(16-7-4-12-24-16)18-20-10-11-21-18/h2-7,10-12,17,19H,8-9H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyDPQQXGPWLHUCGP-QGZVFWFLSA-N
MW337.45 g/mol
LogP3.28
Rot. Bonds6

About N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine

N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine (PubChem CID 129403573) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine
PubChem CID129403573
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC NameN-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(CCN[C@@H](c2ncc[nH]2)c2cccs2)c2ccccc21
InChIInChI=1S/C18H19N5S/c1-23-15-6-3-2-5-13(15)14(22-23)8-9-19-17(16-7-4-12-24-16)18-20-10-11-21-18/h2-7,10-12,17,19H,8-9H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyDPQQXGPWLHUCGP-QGZVFWFLSA-N
XLogP3.28
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylindazol-3-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 63001715
(1S)-N-[(5-chloro-2-methylphenyl)methyl]-1-(1H-imidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 99843227
N-[(1-ethylsulfonylazetidin-3-yl)methyl]-1-(1H-imidazol-2-yl)-1-thiophen-2-ylmethanamine
CID 126778149
1-amino-3-(1-methylindazol-3-yl)-1-thiophen-2-ylpropan-2-one
CID 116601574
(3S)-3-[[[(R)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]thiolan-3-ol
CID 129403532
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
(2S,5R)-5-[[[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 124829892
N-[(1-methylindazol-3-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091933
[1-(1-methylindazol-3-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 103129680
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[1H-imidazol-2-yl(phenyl)methyl]-2-methylsulfanylethanamine
CID 86804118
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250

Frequently Asked Questions

What is the IUPAC name of N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine (CID 129403573) is N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine is Cn1nc(CCN[C@@H](c2ncc[nH]2)c2cccs2)c2ccccc21.
What is the InChIKey of N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine?
The InChIKey is DPQQXGPWLHUCGP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N5S/c1-23-15-6-3-2-5-13(15)14(22-23)8-9-19-17(16-7-4-12-24-16)18-20-10-11-21-18/h2-7,10-12,17,19H,8-9H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine?
N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine has a molecular weight of 337.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-1H-imidazol-2-yl(thiophen-2-yl)methyl]-2-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 129403573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).