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

C13H13F2N3OS — CID 133435266

IUPACN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCOC2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3OS/c1-7-16-13(20-18-7)17-11-4-5-19-12(11)8-2-3-9(14)10(15)6-8/h2-3,6,11-12H,4-5H2,1H3,(H,16,17,18)
InChIKeySPCJQPLCELBPQC-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.07
Rot. Bonds3

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

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133435266) has the molecular formula C13H13F2N3OS and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133435266
Molecular FormulaC13H13F2N3OS
Molecular Weight297.33 g/mol
Exact Mass297.07
IUPAC NameN-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCOC2c2ccc(F)c(F)c2)n1
InChIInChI=1S/C13H13F2N3OS/c1-7-16-13(20-18-7)17-11-4-5-19-12(11)8-2-3-9(14)10(15)6-8/h2-3,6,11-12H,4-5H2,1H3,(H,16,17,18)
InChIKeySPCJQPLCELBPQC-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 133435457
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
(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
2-(3,4-difluorophenyl)-N-(2-nitrophenyl)oxolan-3-amine
CID 133435198
(2R,3R)-2-(3,4-difluorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]oxolan-3-amine
CID 99835495
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133435296
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133435175

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133435266) is N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCOC2c2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SPCJQPLCELBPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3OS/c1-7-16-13(20-18-7)17-11-4-5-19-12(11)8-2-3-9(14)10(15)6-8/h2-3,6,11-12H,4-5H2,1H3,(H,16,17,18).
What are the key properties of N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 297.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)oxolan-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133435266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).