N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C13H16F3N3S2 — CID 106783183

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H16F3N3S2/c1-3-4-17-9(5-11-19-8(2)7-20-11)10-6-18-12(21-10)13(14,15)16/h6-7,9,17H,3-5H2,1-2H3
InChIKeyCAJLQIUDMNCWSM-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.21
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 106783183) has the molecular formula C13H16F3N3S2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID106783183
Molecular FormulaC13H16F3N3S2
Molecular Weight335.42 g/mol
Exact Mass335.07
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H16F3N3S2/c1-3-4-17-9(5-11-19-8(2)7-20-11)10-6-18-12(21-10)13(14,15)16/h6-7,9,17H,3-5H2,1-2H3
InChIKeyCAJLQIUDMNCWSM-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 106783183) is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is CAJLQIUDMNCWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3S2/c1-3-4-17-9(5-11-19-8(2)7-20-11)10-6-18-12(21-10)13(14,15)16/h6-7,9,17H,3-5H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 335.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 106783183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).