5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine

C10H12F6N2S — CID 135001092

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)C)sc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2S/c1-4(2)17-8-18-5(3)6(19-8)7(9(11,12)13)10(14,15)16/h4,7H,1-3H3,(H,17,18)
InChIKeyYRXWWCIDVWIAFM-UHFFFAOYSA-N
MW306.28 g/mol
LogP4.48
Rot. Bonds3

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 135001092) has the molecular formula C10H12F6N2S and a molecular weight of 306.28 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID135001092
Molecular FormulaC10H12F6N2S
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCc1nc(NC(C)C)sc1C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2S/c1-4(2)17-8-18-5(3)6(19-8)7(9(11,12)13)10(14,15)16/h4,7H,1-3H3,(H,17,18)
InChIKeyYRXWWCIDVWIAFM-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 135001092) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine is Cc1nc(NC(C)C)sc1C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is YRXWWCIDVWIAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2S/c1-4(2)17-8-18-5(3)6(19-8)7(9(11,12)13)10(14,15)16/h4,7H,1-3H3,(H,17,18).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 306.28 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 135001092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).