N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine

C6H8F2N2S — CID 156522735

IUPACN,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(N(F)F)s1
InChIInChI=1S/C6H8F2N2S/c1-4(2)5-3-9-6(11-5)10(7)8/h3-4H,1-2H3
InChIKeyJRPBCIVSKCECQS-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.84
Rot. Bonds2

About N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine

N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 156522735) has the molecular formula C6H8F2N2S and a molecular weight of 178.21 g/mol. Its IUPAC name is N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID156522735
Molecular FormulaC6H8F2N2S
Molecular Weight178.21 g/mol
Exact Mass178.04
IUPAC NameN,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1cnc(N(F)F)s1
InChIInChI=1S/C6H8F2N2S/c1-4(2)5-3-9-6(11-5)10(7)8/h3-4H,1-2H3
InChIKeyJRPBCIVSKCECQS-UHFFFAOYSA-N
XLogP2.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine (CID 156522735) is N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1cnc(N(F)F)s1.
What is the InChIKey of N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is JRPBCIVSKCECQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2S/c1-4(2)5-3-9-6(11-5)10(7)8/h3-4H,1-2H3.
What are the key properties of N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine?
N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 178.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-difluoro-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 156522735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).