N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

C15H17F2N3O2S — CID 133435457

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC2CCOC2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H17F2N3O2S/c1-21-6-5-13-19-15(23-20-13)18-12-4-7-22-14(12)9-2-3-10(16)11(17)8-9/h2-3,8,12,14H,4-7H2,1H3,(H,18,19,20)
InChIKeyOLMJABXMWILEIX-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.95
Rot. Bonds6

About N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133435457) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133435457
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NC2CCOC2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C15H17F2N3O2S/c1-21-6-5-13-19-15(23-20-13)18-12-4-7-22-14(12)9-2-3-10(16)11(17)8-9/h2-3,8,12,14H,4-7H2,1H3,(H,18,19,20)
InChIKeyOLMJABXMWILEIX-UHFFFAOYSA-N
XLogP2.95
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133435266
(2S,3R)-2-(3,4-difluorophenyl)-N-[(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolan-3-amine
CID 124829754
6-chloro-4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 133435463
5-bromo-2-N-[(2R,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-4-N-methylpyrimidine-2,4-diamine
CID 99635271
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133435434
(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 99835495
(2S,3R)-2-(3,4-difluorophenyl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 97336740
(2S,3S)-2-(3,4-difluorophenyl)-N-[(2-methyl-3-pyridinyl)methyl]oxolan-3-amine
CID 97336733
2-(3,4-difluorophenyl)oxolan-3-amine
CID 71683254
4-N-[2-(3,4-difluorophenyl)oxolan-3-yl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 133435270
(2R,3S)-2-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)oxolan-3-amine
CID 97336723
3-[(2S,3S)-2-(3,4-difluorophenyl)oxolan-3-yl]-1-[2-(dimethylamino)ethyl]-1-methylurea
CID 97335969

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine (CID 133435457) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is COCCc1nsc(NC2CCOC2c2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OLMJABXMWILEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-21-6-5-13-19-15(23-20-13)18-12-4-7-22-14(12)9-2-3-10(16)11(17)8-9/h2-3,8,12,14H,4-7H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 341.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133435457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).