N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine

C14H24F3N3S — CID 79382866

IUPACN-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CCC(F)(F)F)nc1C(C)C
InChIInChI=1S/C14H24F3N3S/c1-5-7-18-9-11-12(10(2)3)19-13(21-11)20(4)8-6-14(15,16)17/h10,18H,5-9H2,1-4H3
InChIKeyWBHLVMDXBVSHEP-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.15
Rot. Bonds8

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

N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (PubChem CID 79382866) has the molecular formula C14H24F3N3S and a molecular weight of 323.43 g/mol. Its IUPAC name is N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
PubChem CID79382866
Molecular FormulaC14H24F3N3S
Molecular Weight323.43 g/mol
Exact Mass323.16
IUPAC NameN-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)CCC(F)(F)F)nc1C(C)C
InChIInChI=1S/C14H24F3N3S/c1-5-7-18-9-11-12(10(2)3)19-13(21-11)20(4)8-6-14(15,16)17/h10,18H,5-9H2,1-4H3
InChIKeyWBHLVMDXBVSHEP-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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 N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (CID 79382866) is N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)CCC(F)(F)F)nc1C(C)C.
What is the InChIKey of N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The InChIKey is WBHLVMDXBVSHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3S/c1-5-7-18-9-11-12(10(2)3)19-13(21-11)20(4)8-6-14(15,16)17/h10,18H,5-9H2,1-4H3.
What are the key properties of N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine has a molecular weight of 323.43 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yl-5-(propylaminomethyl)-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79382866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).