4-(1,1-difluoroethyl)-1,3-thiazol-2-amine

C5H6F2N2S — CID 84764768

IUPAC4-(1,1-difluoroethyl)-1,3-thiazol-2-amine
SMILESCC(F)(F)c1csc(N)n1
InChIInChI=1S/C5H6F2N2S/c1-5(6,7)3-2-10-4(8)9-3/h2H,1H3,(H2,8,9)
InChIKeyIKUCSSDMBDQTIG-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.84
Rot. Bonds1

About 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine

4-(1,1-difluoroethyl)-1,3-thiazol-2-amine (PubChem CID 84764768) has the molecular formula C5H6F2N2S and a molecular weight of 164.18 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1,3-thiazol-2-amine
PubChem CID84764768
Molecular FormulaC5H6F2N2S
Molecular Weight164.18 g/mol
Exact Mass164.02
IUPAC Name4-(1,1-difluoroethyl)-1,3-thiazol-2-amine
SMILESCC(F)(F)c1csc(N)n1
InChIInChI=1S/C5H6F2N2S/c1-5(6,7)3-2-10-4(8)9-3/h2H,1H3,(H2,8,9)
InChIKeyIKUCSSDMBDQTIG-UHFFFAOYSA-N
XLogP1.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-methylthiazole
CID 74143
2-Thiazolamine, 4-methyl-, hydrochloride (1:1)
CID 80240
4-tert-Butyl-1,3-thiazol-2-amine
CID 2734202
2-Thiazolamine, 4-(trifluoromethyl)-
CID 1201417
4-Ethyl-1,3-thiazol-2-amine
CID 12378205
4-(Propan-2-yl)-1,3-thiazol-2-amine
CID 7064077
N,N-dimethyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 2512903
2-Hydrazinyl-4-(trifluoromethyl)-1,3-thiazole
CID 15717194
4-(Trideuteriomethyl)-1,3-thiazol-2-amine
CID 45785356
4-Ethyl-1,3-thiazol-2-amine hydrochloride
CID 50988207
4-Propyl-1,3-thiazol-2-amine hydrochloride
CID 71757760
4-(Difluoromethyl)-1,3-thiazol-2-amine hydrochloride
CID 117274215

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine (CID 84764768) is 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine is CC(F)(F)c1csc(N)n1.
What is the InChIKey of 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is IKUCSSDMBDQTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2S/c1-5(6,7)3-2-10-4(8)9-3/h2H,1H3,(H2,8,9).
What are the key properties of 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine?
4-(1,1-difluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 164.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 84764768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).