2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine

C9H13F3N2S — CID 61336912

IUPAC2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2S/c1-8(2,3)6(13)7-14-5(4-15-7)9(10,11)12/h4,6H,13H2,1-3H3
InChIKeyLZARWABGPYNDJX-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.21
Rot. Bonds1

About 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine

2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 61336912) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID61336912
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCC(C)(C)C(N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H13F3N2S/c1-8(2,3)6(13)7-14-5(4-15-7)9(10,11)12/h4,6H,13H2,1-3H3
InChIKeyLZARWABGPYNDJX-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (CID 61336912) is 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is CC(C)(C)C(N)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is LZARWABGPYNDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-8(2,3)6(13)7-14-5(4-15-7)9(10,11)12/h4,6H,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 238.28 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 61336912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).