1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine

C9H12F2N2S — CID 84786147

IUPAC1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESCc1nc(C2(N)CC2)sc1C(C)(F)F
InChIInChI=1S/C9H12F2N2S/c1-5-6(8(2,10)11)14-7(13-5)9(12)3-4-9/h3-4,12H2,1-2H3
InChIKeyIUSPKMKIGWEXHN-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.51
Rot. Bonds2

About 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine

1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine (PubChem CID 84786147) has the molecular formula C9H12F2N2S and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine
PubChem CID84786147
Molecular FormulaC9H12F2N2S
Molecular Weight218.27 g/mol
Exact Mass218.07
IUPAC Name1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine
SMILESCc1nc(C2(N)CC2)sc1C(C)(F)F
InChIInChI=1S/C9H12F2N2S/c1-5-6(8(2,10)11)14-7(13-5)9(12)3-4-9/h3-4,12H2,1-2H3
InChIKeyIUSPKMKIGWEXHN-UHFFFAOYSA-N
XLogP2.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine (CID 84786147) is 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine is Cc1nc(C2(N)CC2)sc1C(C)(F)F.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine?
The InChIKey is IUSPKMKIGWEXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2S/c1-5-6(8(2,10)11)14-7(13-5)9(12)3-4-9/h3-4,12H2,1-2H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine?
1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine has a molecular weight of 218.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 84786147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).