4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C13H20F3N3S — CID 63915994

IUPAC4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC(F)(F)F)C(C)C)nc1C1CC1
InChIInChI=1S/C13H20F3N3S/c1-8(2)19(7-13(14,15)16)12-18-11(9-4-5-9)10(20-12)6-17-3/h8-9,17H,4-7H2,1-3H3
InChIKeyHWEUEKIYEQWDNF-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.52
Rot. Bonds6

About 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 63915994) has the molecular formula C13H20F3N3S and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID63915994
Molecular FormulaC13H20F3N3S
Molecular Weight307.39 g/mol
Exact Mass307.13
IUPAC Name4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCNCc1sc(N(CC(F)(F)F)C(C)C)nc1C1CC1
InChIInChI=1S/C13H20F3N3S/c1-8(2)19(7-13(14,15)16)12-18-11(9-4-5-9)10(20-12)6-17-3/h8-9,17H,4-7H2,1-3H3
InChIKeyHWEUEKIYEQWDNF-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 63915994) is 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CNCc1sc(N(CC(F)(F)F)C(C)C)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is HWEUEKIYEQWDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-8(2)19(7-13(14,15)16)12-18-11(9-4-5-9)10(20-12)6-17-3/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 307.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63915994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).