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

C7H8F2N2S — CID 84771495

IUPAC1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESNC1(c2csc(C(F)F)n2)CC1
InChIInChI=1S/C7H8F2N2S/c8-5(9)6-11-4(3-12-6)7(10)1-2-7/h3,5H,1-2,10H2
InChIKeyHBBIGGQLRBSUIO-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.03
Rot. Bonds2

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

1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine (PubChem CID 84771495) has the molecular formula C7H8F2N2S and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
PubChem CID84771495
Molecular FormulaC7H8F2N2S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine
SMILESNC1(c2csc(C(F)F)n2)CC1
InChIInChI=1S/C7H8F2N2S/c8-5(9)6-11-4(3-12-6)7(10)1-2-7/h3,5H,1-2,10H2
InChIKeyHBBIGGQLRBSUIO-UHFFFAOYSA-N
XLogP2.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine (CID 84771495) is 1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine is NC1(c2csc(C(F)F)n2)CC1.
What is the InChIKey of 1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
The InChIKey is HBBIGGQLRBSUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2S/c8-5(9)6-11-4(3-12-6)7(10)1-2-7/h3,5H,1-2,10H2.
What are the key properties of 1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine?
1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine has a molecular weight of 190.22 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-1,3-thiazol-4-yl]cyclopropan-1-amine is sourced from PubChem (CID 84771495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).