4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C14H24F3N3S — CID 62753908

IUPAC4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C14H24F3N3S/c1-6-7-18-10(4)12-11(5)19-13(21-12)20(9(2)3)8-14(15,16)17/h9-10,18H,6-8H2,1-5H3
InChIKeyITUDEMBKPOUWHO-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.29
Rot. Bonds7

About 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62753908) has the molecular formula C14H24F3N3S and a molecular weight of 323.43 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62753908
Molecular FormulaC14H24F3N3S
Molecular Weight323.43 g/mol
Exact Mass323.16
IUPAC Name4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(CC(F)(F)F)C(C)C)nc1C
InChIInChI=1S/C14H24F3N3S/c1-6-7-18-10(4)12-11(5)19-13(21-12)20(9(2)3)8-14(15,16)17/h9-10,18H,6-8H2,1-5H3
InChIKeyITUDEMBKPOUWHO-UHFFFAOYSA-N
XLogP4.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62753908) is 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCNC(C)c1sc(N(CC(F)(F)F)C(C)C)nc1C.
What is the InChIKey of 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is ITUDEMBKPOUWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3S/c1-6-7-18-10(4)12-11(5)19-13(21-12)20(9(2)3)8-14(15,16)17/h9-10,18H,6-8H2,1-5H3.
What are the key properties of 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 323.43 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62753908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).