[(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium

C19H17N2S3+ — CID 8866823

IUPAC[(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium
SMILESc1ccc([C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)c2cccs2)cc1
InChIInChI=1S/C19H16N2S3/c1-2-5-14(6-3-1)18(17-7-4-9-23-17)20-11-16-13-24-19(21-16)15-8-10-22-12-15/h1-10,12-13,18,20H,11H2/p+1/t18-/m1/s1
InChIKeyNCDMIZOOFSOSBA-GOSISDBHSA-O
MW369.56 g/mol
LogP4.79
Rot. Bonds6

About [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium

[(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium (PubChem CID 8866823) has the molecular formula C19H17N2S3+ and a molecular weight of 369.56 g/mol. Its IUPAC name is [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium.

Molecular Properties

Compound Name[(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium
PubChem CID8866823
Molecular FormulaC19H17N2S3+
Molecular Weight369.56 g/mol
Exact Mass369.05
IUPAC Name[(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium
SMILESc1ccc([C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)c2cccs2)cc1
InChIInChI=1S/C19H16N2S3/c1-2-5-14(6-3-1)18(17-7-4-9-23-17)20-11-16-13-24-19(21-16)15-8-10-22-12-15/h1-10,12-13,18,20H,11H2/p+1/t18-/m1/s1
InChIKeyNCDMIZOOFSOSBA-GOSISDBHSA-O
XLogP4.79
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium with MolForge

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Related Compounds

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051494
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863848
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 8867233
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863582
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050893
4-[(4-phenylphenyl)methylsulfinylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 78853478
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864576
2-ethyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 78817000
4-[(5-phenyltetrazol-2-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 35416899
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863492

Frequently Asked Questions

What is the IUPAC name of [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium?
The IUPAC name of [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium (CID 8866823) is [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium.
What is the SMILES notation for [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium?
The canonical SMILES for [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium is c1ccc([C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)c2cccs2)cc1.
What is the InChIKey of [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium?
The InChIKey is NCDMIZOOFSOSBA-GOSISDBHSA-O. The full InChI is InChI=1S/C19H16N2S3/c1-2-5-14(6-3-1)18(17-7-4-9-23-17)20-11-16-13-24-19(21-16)15-8-10-22-12-15/h1-10,12-13,18,20H,11H2/p+1/t18-/m1/s1.
What are the key properties of [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium?
[(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium has a molecular weight of 369.56 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-phenyl(thiophen-2-yl)methyl]-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]azanium is sourced from PubChem (CID 8866823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).