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

C9H14F2N2S — CID 103517034

IUPAC1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(Cc1cncs1)C(F)F
InChIInChI=1S/C9H14F2N2S/c1-2-3-13-8(9(10)11)4-7-5-12-6-14-7/h5-6,8-9,13H,2-4H2,1H3
InChIKeyWSIPBYCDSLAJKE-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.32
Rot. Bonds6

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

1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 103517034) has the molecular formula C9H14F2N2S and a molecular weight of 220.29 g/mol. Its IUPAC name is 1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID103517034
Molecular FormulaC9H14F2N2S
Molecular Weight220.29 g/mol
Exact Mass220.08
IUPAC Name1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCCCNC(Cc1cncs1)C(F)F
InChIInChI=1S/C9H14F2N2S/c1-2-3-13-8(9(10)11)4-7-5-12-6-14-7/h5-6,8-9,13H,2-4H2,1H3
InChIKeyWSIPBYCDSLAJKE-UHFFFAOYSA-N
XLogP2.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 103517034) is 1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is CCCNC(Cc1cncs1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is WSIPBYCDSLAJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2S/c1-2-3-13-8(9(10)11)4-7-5-12-6-14-7/h5-6,8-9,13H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 220.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 103517034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).