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

C12H18F3N3S — CID 63915800

IUPAC5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC(F)(F)F)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C12H18F3N3S/c1-7(2)18(6-12(13,14)15)11-17-10(8-3-4-8)9(5-16)19-11/h7-8H,3-6,16H2,1-2H3
InChIKeyPCTBHECHLPTEJV-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.26
Rot. Bonds5

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

5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 63915800) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID63915800
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCC(C)N(CC(F)(F)F)c1nc(C2CC2)c(CN)s1
InChIInChI=1S/C12H18F3N3S/c1-7(2)18(6-12(13,14)15)11-17-10(8-3-4-8)9(5-16)19-11/h7-8H,3-6,16H2,1-2H3
InChIKeyPCTBHECHLPTEJV-UHFFFAOYSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 63915800) is 5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CC(C)N(CC(F)(F)F)c1nc(C2CC2)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is PCTBHECHLPTEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-7(2)18(6-12(13,14)15)11-17-10(8-3-4-8)9(5-16)19-11/h7-8H,3-6,16H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 293.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-cyclopropyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63915800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).