(1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

C14H19N3S2 — CID 97333940

IUPAC(1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCSc1ccc([C@@H](C)NCc2nnc(C)s2)cc1
InChIInChI=1S/C14H19N3S2/c1-4-18-13-7-5-12(6-8-13)10(2)15-9-14-17-16-11(3)19-14/h5-8,10,15H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyBZNCPYCCEZOTIQ-SNVBAGLBSA-N
MW293.46 g/mol
LogP3.81
Rot. Bonds6

About (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

(1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (PubChem CID 97333940) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
PubChem CID97333940
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC Name(1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCCSc1ccc([C@@H](C)NCc2nnc(C)s2)cc1
InChIInChI=1S/C14H19N3S2/c1-4-18-13-7-5-12(6-8-13)10(2)15-9-14-17-16-11(3)19-14/h5-8,10,15H,4,9H2,1-3H3/t10-/m1/s1
InChIKeyBZNCPYCCEZOTIQ-SNVBAGLBSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylsulfanylphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 119114919
1-(4-methyl-3-nitrophenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 75483189
4-[[1-(4-ethylsulfanylphenyl)ethylamino]methyl]benzonitrile
CID 119114921
N-[1-(4-ethylsulfanylphenyl)ethyl]propan-2-amine
CID 115769723
2-(4-chlorophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]acetamide
CID 167908324
3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 97333757
N-[1-(4-ethylsulfanylphenyl)ethyl]cyclopropanamine
CID 115769694
1-(4-ethylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 54912825
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81370937
N-[1-(2,4-dimethylpyrimidin-5-yl)ethyl]-1-(4-ethylsulfanylphenyl)ethanamine
CID 75495441
(1R)-N-(1,3-benzothiazol-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 28665251
N-ethyl-1-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 79206261

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (CID 97333940) is (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is CCSc1ccc([C@@H](C)NCc2nnc(C)s2)cc1.
What is the InChIKey of (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The InChIKey is BZNCPYCCEZOTIQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-4-18-13-7-5-12(6-8-13)10(2)15-9-14-17-16-11(3)19-14/h5-8,10,15H,4,9H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
(1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine has a molecular weight of 293.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-ethylsulfanylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 97333940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).