5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine

C7H5F7N2S — CID 123627610

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F7N2S/c1-2-3(17-4(15)16-2)5(8,6(9,10)11)7(12,13)14/h1H3,(H2,15,16)
InChIKeyIUWVFEIICXLRBS-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.32
Rot. Bonds1

About 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 123627610) has the molecular formula C7H5F7N2S and a molecular weight of 282.18 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID123627610
Molecular FormulaC7H5F7N2S
Molecular Weight282.18 g/mol
Exact Mass282.01
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F7N2S/c1-2-3(17-4(15)16-2)5(8,6(9,10)11)7(12,13)14/h1H3,(H2,15,16)
InChIKeyIUWVFEIICXLRBS-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyl-5-methyl-1,3-thiazol-2-amine
CID 3164022
5-Methyl-4-(propan-2-yl)-1,3-thiazol-2-amine
CID 21138959
4-Cyclopropyl-5-methyl-1,3-thiazol-2-amine
CID 64919436
5-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 130154004
5-tert-Butyl-4-methyl-thiazol-2-ylamine
CID 1081536
4-Ethyl-5-methyl-1,3-thiazol-2-amine hydrobromide
CID 42937515
5-[1-(Hydroxyimino)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 126970839
N-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 16095810
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 135001092
4-Methyl-5-(propan-2-yl)-1,3-thiazol-2-amine
CID 10397060
5-Tert-butyl-4-ethyl-1,3-thiazol-2-amine
CID 85787683
2-(2-Amino-4-methylthiazol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11357953

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine (CID 123627610) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is IUWVFEIICXLRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F7N2S/c1-2-3(17-4(15)16-2)5(8,6(9,10)11)7(12,13)14/h1H3,(H2,15,16).
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 282.18 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123627610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).