4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C14H22F3N3S — CID 63916192

IUPAC4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)CC(F)(F)F)nc1C1CC1
InChIInChI=1S/C14H22F3N3S/c1-3-7-18-8-11-12(10-5-6-10)19-13(21-11)20(4-2)9-14(15,16)17/h10,18H,3-9H2,1-2H3
InChIKeyUHCRHSUQOZKSSB-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.91
Rot. Bonds8

About 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 63916192) has the molecular formula C14H22F3N3S and a molecular weight of 321.41 g/mol. Its IUPAC name is 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID63916192
Molecular FormulaC14H22F3N3S
Molecular Weight321.41 g/mol
Exact Mass321.15
IUPAC Name4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC)CC(F)(F)F)nc1C1CC1
InChIInChI=1S/C14H22F3N3S/c1-3-7-18-8-11-12(10-5-6-10)19-13(21-11)20(4-2)9-14(15,16)17/h10,18H,3-9H2,1-2H3
InChIKeyUHCRHSUQOZKSSB-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 63916192) is 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(CC)CC(F)(F)F)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is UHCRHSUQOZKSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3S/c1-3-7-18-8-11-12(10-5-6-10)19-13(21-11)20(4-2)9-14(15,16)17/h10,18H,3-9H2,1-2H3.
What are the key properties of 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 321.41 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-ethyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63916192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).