N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine

C7H11F2N3S — CID 107647969

IUPACN-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)C(F)F)s1
InChIInChI=1S/C7H11F2N3S/c1-3-5-11-12-7(13-5)10-4(2)6(8)9/h4,6H,3H2,1-2H3,(H,10,12)
InChIKeyAYLAYULAQBFEBU-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.17
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine

N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647969) has the molecular formula C7H11F2N3S and a molecular weight of 207.25 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647969
Molecular FormulaC7H11F2N3S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC NameN-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)C(F)F)s1
InChIInChI=1S/C7H11F2N3S/c1-3-5-11-12-7(13-5)10-4(2)6(8)9/h4,6H,3H2,1-2H3,(H,10,12)
InChIKeyAYLAYULAQBFEBU-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647969) is N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)C(F)F)s1.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AYLAYULAQBFEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3S/c1-3-5-11-12-7(13-5)10-4(2)6(8)9/h4,6H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 207.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).