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

C14H24F3N3S — CID 62768890

IUPAC4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC(F)(F)F)C(C)C)nc1CC
InChIInChI=1S/C14H24F3N3S/c1-5-7-18-8-12-11(6-2)19-13(21-12)20(10(3)4)9-14(15,16)17/h10,18H,5-9H2,1-4H3
InChIKeyKSNIAFVMAHHRNB-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.98
Rot. Bonds8

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

4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 62768890) has the molecular formula C14H24F3N3S and a molecular weight of 323.43 g/mol. Its IUPAC name is 4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID62768890
Molecular FormulaC14H24F3N3S
Molecular Weight323.43 g/mol
Exact Mass323.16
IUPAC Name4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(CC(F)(F)F)C(C)C)nc1CC
InChIInChI=1S/C14H24F3N3S/c1-5-7-18-8-12-11(6-2)19-13(21-12)20(10(3)4)9-14(15,16)17/h10,18H,5-9H2,1-4H3
InChIKeyKSNIAFVMAHHRNB-UHFFFAOYSA-N
XLogP3.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.98
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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Related Compounds

4-ethyl-N-propan-2-yl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767784
4-ethyl-N-methyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768109
4-(methoxymethyl)-5-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 107509953
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 79395623
N,4-diethyl-5-(methylaminomethyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 62767433
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
4-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 115987962
N-[[4-ethyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116633346
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63726893
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 62765369
N-[[2-(1-ethoxyethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 113459642
4-methyl-N-propyl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768369

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 62768890) is 4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(CC(F)(F)F)C(C)C)nc1CC.
What is the InChIKey of 4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is KSNIAFVMAHHRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3S/c1-5-7-18-8-12-11(6-2)19-13(21-12)20(10(3)4)9-14(15,16)17/h10,18H,5-9H2,1-4H3.
What are the key properties of 4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 323.43 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-propan-2-yl-5-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).