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

C9H15F2N3S — CID 106260415

IUPACN-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC(C)C(F)F)s1
InChIInChI=1S/C9H15F2N3S/c1-5(2)4-7-13-14-9(15-7)12-6(3)8(10)11/h5-6,8H,4H2,1-3H3,(H,12,14)
InChIKeyKYCDIMWIJISSQV-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.80
Rot. Bonds5

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

N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260415) has the molecular formula C9H15F2N3S and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260415
Molecular FormulaC9H15F2N3S
Molecular Weight235.30 g/mol
Exact Mass235.10
IUPAC NameN-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC(C)C(F)F)s1
InChIInChI=1S/C9H15F2N3S/c1-5(2)4-7-13-14-9(15-7)12-6(3)8(10)11/h5-6,8H,4H2,1-3H3,(H,12,14)
InChIKeyKYCDIMWIJISSQV-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.80
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-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260415) is N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC(C)C(F)F)s1.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KYCDIMWIJISSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3S/c1-5(2)4-7-13-14-9(15-7)12-6(3)8(10)11/h5-6,8H,4H2,1-3H3,(H,12,14).
What are the key properties of N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-(1,1-difluoropropan-2-yl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 235.30 g/mol, XLogP of 2.80, 5 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-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).