3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol

C10H16F2N2OS — CID 104860678

IUPAC3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol
SMILESCc1nc(C(C)NCC(F)(F)CO)c(C)s1
InChIInChI=1S/C10H16F2N2OS/c1-6(13-4-10(11,12)5-15)9-7(2)16-8(3)14-9/h6,13,15H,4-5H2,1-3H3
InChIKeyYLHLQWSJLIEWOH-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.04
Rot. Bonds5

About 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol

3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol (PubChem CID 104860678) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol
PubChem CID104860678
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC Name3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol
SMILESCc1nc(C(C)NCC(F)(F)CO)c(C)s1
InChIInChI=1S/C10H16F2N2OS/c1-6(13-4-10(11,12)5-15)9-7(2)16-8(3)14-9/h6,13,15H,4-5H2,1-3H3
InChIKeyYLHLQWSJLIEWOH-UHFFFAOYSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol (CID 104860678) is 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol is Cc1nc(C(C)NCC(F)(F)CO)c(C)s1.
What is the InChIKey of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol?
The InChIKey is YLHLQWSJLIEWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-6(13-4-10(11,12)5-15)9-7(2)16-8(3)14-9/h6,13,15H,4-5H2,1-3H3.
What are the key properties of 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol?
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol has a molecular weight of 250.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104860678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).