3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol

C9H14F2N2OS — CID 103741092

IUPAC3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCCc1ncc(CNCC(O)C(F)F)s1
InChIInChI=1S/C9H14F2N2OS/c1-2-8-13-4-6(15-8)3-12-5-7(14)9(10)11/h4,7,9,12,14H,2-3,5H2,1H3
InChIKeyATALVKJZAOIZLB-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.42
Rot. Bonds6

About 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol

3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103741092) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103741092
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCCc1ncc(CNCC(O)C(F)F)s1
InChIInChI=1S/C9H14F2N2OS/c1-2-8-13-4-6(15-8)3-12-5-7(14)9(10)11/h4,7,9,12,14H,2-3,5H2,1H3
InChIKeyATALVKJZAOIZLB-UHFFFAOYSA-N
XLogP1.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol (CID 103741092) is 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol is CCc1ncc(CNCC(O)C(F)F)s1.
What is the InChIKey of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is ATALVKJZAOIZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c1-2-8-13-4-6(15-8)3-12-5-7(14)9(10)11/h4,7,9,12,14H,2-3,5H2,1H3.
What are the key properties of 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol?
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 236.29 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103741092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).