2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol

C14H19N3OS2 — CID 116695745

IUPAC2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol
SMILESCCc1nsc(SCCC(N)(CO)c2ccccc2)n1
InChIInChI=1S/C14H19N3OS2/c1-2-12-16-13(20-17-12)19-9-8-14(15,10-18)11-6-4-3-5-7-11/h3-7,18H,2,8-10,15H2,1H3
InChIKeyCKCSCGGDOVXDPL-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.43
Rot. Bonds7

About 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol

2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol (PubChem CID 116695745) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol
PubChem CID116695745
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC Name2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol
SMILESCCc1nsc(SCCC(N)(CO)c2ccccc2)n1
InChIInChI=1S/C14H19N3OS2/c1-2-12-16-13(20-17-12)19-9-8-14(15,10-18)11-6-4-3-5-7-11/h3-7,18H,2,8-10,15H2,1H3
InChIKeyCKCSCGGDOVXDPL-UHFFFAOYSA-N
XLogP2.43
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-phenylpentan-1-ol
CID 61056433
2-amino-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylbutan-1-ol
CID 116695606
2-ethyl-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-(methylamino)pentan-1-ol
CID 106811158
2-amino-4-(2-methoxyethylsulfanyl)-2-phenylbutan-1-ol
CID 116695696
2-amino-4-(2,5-dichlorophenyl)sulfanyl-2-phenylbutan-1-ol
CID 116695631
2-amino-4-(dimethylamino)-2-phenylbutan-1-ol
CID 116695084
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
CID 21403843
2-amino-4-(2-ethoxyethoxy)-2-phenylbutan-1-ol
CID 116695460
2-(methylamino)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutanenitrile
CID 116693459
(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695331
2-amino-3-(3-methylphenyl)sulfanyl-2-phenylpropan-1-ol
CID 64806241

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol (CID 116695745) is 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol is CCc1nsc(SCCC(N)(CO)c2ccccc2)n1.
What is the InChIKey of 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol?
The InChIKey is CKCSCGGDOVXDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-2-12-16-13(20-17-12)19-9-8-14(15,10-18)11-6-4-3-5-7-11/h3-7,18H,2,8-10,15H2,1H3.
What are the key properties of 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol?
2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol has a molecular weight of 309.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-phenylbutan-1-ol is sourced from PubChem (CID 116695745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).