N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

C9H16F2N4S — CID 107494114

IUPACN'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCCc1nsc(N(CCN)CC(F)F)n1
InChIInChI=1S/C9H16F2N4S/c1-2-3-8-13-9(16-14-8)15(5-4-12)6-7(10)11/h7H,2-6,12H2,1H3
InChIKeyIFMCAGVPUDXUBD-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.52
Rot. Bonds7

About N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (PubChem CID 107494114) has the molecular formula C9H16F2N4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
PubChem CID107494114
Molecular FormulaC9H16F2N4S
Molecular Weight250.32 g/mol
Exact Mass250.11
IUPAC NameN'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
SMILESCCCc1nsc(N(CCN)CC(F)F)n1
InChIInChI=1S/C9H16F2N4S/c1-2-3-8-13-9(16-14-8)15(5-4-12)6-7(10)11/h7H,2-6,12H2,1H3
InChIKeyIFMCAGVPUDXUBD-UHFFFAOYSA-N
XLogP1.52
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269158
3-propyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271079
3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271165
3-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271166
3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274381
3-propyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274436
3-ethyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274437

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine (CID 107494114) is N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is CCCc1nsc(N(CCN)CC(F)F)n1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
The InChIKey is IFMCAGVPUDXUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4S/c1-2-3-8-13-9(16-14-8)15(5-4-12)6-7(10)11/h7H,2-6,12H2,1H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine has a molecular weight of 250.32 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 107494114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).