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

C14H19N3O2S — CID 126774023

IUPAC4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol
SMILESCOCc1nsc(NC(CCCO)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2S/c1-19-10-13-16-14(20-17-13)15-12(8-5-9-18)11-6-3-2-4-7-11/h2-4,6-7,12,18H,5,8-10H2,1H3,(H,15,16,17)
InChIKeyWAKOJCONLZAFJH-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.61
Rot. Bonds8

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

4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol (PubChem CID 126774023) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol
PubChem CID126774023
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol
SMILESCOCc1nsc(NC(CCCO)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2S/c1-19-10-13-16-14(20-17-13)15-12(8-5-9-18)11-6-3-2-4-7-11/h2-4,6-7,12,18H,5,8-10H2,1H3,(H,15,16,17)
InChIKeyWAKOJCONLZAFJH-UHFFFAOYSA-N
XLogP2.61
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 65274322
N-(2-chloro-1-phenylethyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65277700
4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol
CID 133394349
3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]-3-phenylpropan-1-ol
CID 110019524
4-(methylamino)-4-(4-phenylphenyl)butan-1-ol
CID 116952947
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
N-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133352584
6-[(5-methoxy-1-phenylpentyl)amino]pyridine-2-carboxylic acid
CID 122057074
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133429222
N-(4-hydroxy-1-phenylbutyl)propane-1-sulfonamide
CID 111448436
4-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]-5-phenylpentanoic acid
CID 122064209
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 133416906

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol?
The IUPAC name of 4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol (CID 126774023) is 4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol.
What is the SMILES notation for 4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol?
The canonical SMILES for 4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol is COCc1nsc(NC(CCCO)c2ccccc2)n1.
What is the InChIKey of 4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol?
The InChIKey is WAKOJCONLZAFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-19-10-13-16-14(20-17-13)15-12(8-5-9-18)11-6-3-2-4-7-11/h2-4,6-7,12,18H,5,8-10H2,1H3,(H,15,16,17).
What are the key properties of 4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol?
4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol has a molecular weight of 293.39 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]-4-phenylbutan-1-ol is sourced from PubChem (CID 126774023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).