N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine

C9H13F3N2OS — CID 79774516

IUPACN-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-3-13-8-14-4-7(16-8)5-15-6(2)9(10,11)12/h4,6H,3,5H2,1-2H3,(H,13,14)
InChIKeyWVSCQZJCNXPXGL-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine

N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774516) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
PubChem CID79774516
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC NameN-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(COC(C)C(F)(F)F)s1
InChIInChI=1S/C9H13F3N2OS/c1-3-13-8-14-4-7(16-8)5-15-6(2)9(10,11)12/h4,6H,3,5H2,1-2H3,(H,13,14)
InChIKeyWVSCQZJCNXPXGL-UHFFFAOYSA-N
XLogP3.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine (CID 79774516) is N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine is CCNc1ncc(COC(C)C(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine?
The InChIKey is WVSCQZJCNXPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-3-13-8-14-4-7(16-8)5-15-6(2)9(10,11)12/h4,6H,3,5H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine?
N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine has a molecular weight of 254.28 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1,1,1-trifluoropropan-2-yloxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).