1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine

C8H10F2N2S — CID 84777890

IUPAC1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESCC(F)(F)c1nc(C2(N)CC2)cs1
InChIInChI=1S/C8H10F2N2S/c1-7(9,10)6-12-5(4-13-6)8(11)2-3-8/h4H,2-3,11H2,1H3
InChIKeyNUPVUFJPXFAUNG-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.20
Rot. Bonds2

About 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine

1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine (PubChem CID 84777890) has the molecular formula C8H10F2N2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
PubChem CID84777890
Molecular FormulaC8H10F2N2S
Molecular Weight204.25 g/mol
Exact Mass204.05
IUPAC Name1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESCC(F)(F)c1nc(C2(N)CC2)cs1
InChIInChI=1S/C8H10F2N2S/c1-7(9,10)6-12-5(4-13-6)8(11)2-3-8/h4H,2-3,11H2,1H3
InChIKeyNUPVUFJPXFAUNG-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methyl-1,3-thiazol-4-yl)cyclopropan-1-amine dihydrochloride
CID 132398736
2-(4-(Trifluoromethyl)-1,3-thiazol-2-yl)butan-2-amine hydrochloride
CID 154832860
1-(2-Methyl-thiazol-4-yl)-cyclopropylamine
CID 55298082
4-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 58125148
4-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 70961513
2-(2-(Trifluoromethyl)thiazol-4-yl)propan-2-amine
CID 96864974
1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 105461467
4-(1-Fluorocyclopropyl)-2-methyl-1,3-thiazole
CID 146290322
4-[1-(Fluoromethyl)cyclopropyl]-2-methyl-1,3-thiazole
CID 155207140
4-(1-Fluorocyclopropyl)-2-propan-2-yl-1,3-thiazole
CID 156046816
2-Ethyl-4-(1-fluorocyclopropyl)-1,3-thiazole
CID 172370077
4-(2,2-Difluorocyclopropyl)-2-ethyl-1,3-thiazole;ethane
CID 172370536

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine (CID 84777890) is 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine is CC(F)(F)c1nc(C2(N)CC2)cs1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The InChIKey is NUPVUFJPXFAUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2S/c1-7(9,10)6-12-5(4-13-6)8(11)2-3-8/h4H,2-3,11H2,1H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine has a molecular weight of 204.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 84777890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).