5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C10H16F3N3S — CID 55113668

IUPAC5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1cnc(N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H16F3N3S/c1-6(2)16(5-10(11,12)13)9-15-4-8(17-9)7(3)14/h4,6-7H,5,14H2,1-3H3
InChIKeyYITIPKOUCFQQGW-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.94
Rot. Bonds4

About 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 55113668) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID55113668
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(N)c1cnc(N(CC(F)(F)F)C(C)C)s1
InChIInChI=1S/C10H16F3N3S/c1-6(2)16(5-10(11,12)13)9-15-4-8(17-9)7(3)14/h4,6-7H,5,14H2,1-3H3
InChIKeyYITIPKOUCFQQGW-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 55113668) is 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(N)c1cnc(N(CC(F)(F)F)C(C)C)s1.
What is the InChIKey of 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is YITIPKOUCFQQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-6(2)16(5-10(11,12)13)9-15-4-8(17-9)7(3)14/h4,6-7H,5,14H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 267.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 55113668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).