4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine

C8H13FN2S — CID 130615029

IUPAC4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(C(C)(C)F)cs1
InChIInChI=1S/C8H13FN2S/c1-8(2,9)6-5-12-7(10-6)11(3)4/h5H,1-4H3
InChIKeyDOCFXPPADIRSAR-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.41
Rot. Bonds2

About 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine

4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 130615029) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID130615029
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(C(C)(C)F)cs1
InChIInChI=1S/C8H13FN2S/c1-8(2,9)6-5-12-7(10-6)11(3)4/h5H,1-4H3
InChIKeyDOCFXPPADIRSAR-UHFFFAOYSA-N
XLogP2.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine (CID 130615029) is 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(C(C)(C)F)cs1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is DOCFXPPADIRSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-8(2,9)6-5-12-7(10-6)11(3)4/h5H,1-4H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine?
4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 130615029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).