N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine

C13H16F3N3S2 — CID 166283647

IUPACN,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1csc(N(C)C)n1)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C13H16F3N3S2/c1-8(11-4-9(6-20-11)13(14,15)16)17-5-10-7-21-12(18-10)19(2)3/h4,6-8,17H,5H2,1-3H3
InChIKeyNBDJNZGROMZZRL-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.14
Rot. Bonds5

About N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine

N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 166283647) has the molecular formula C13H16F3N3S2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine
PubChem CID166283647
Molecular FormulaC13H16F3N3S2
Molecular Weight335.42 g/mol
Exact Mass335.07
IUPAC NameN,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1csc(N(C)C)n1)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C13H16F3N3S2/c1-8(11-4-9(6-20-11)13(14,15)16)17-5-10-7-21-12(18-10)19(2)3/h4,6-8,17H,5H2,1-3H3
InChIKeyNBDJNZGROMZZRL-UHFFFAOYSA-N
XLogP4.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine (CID 166283647) is N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine is CC(NCc1csc(N(C)C)n1)c1cc(C(F)(F)F)cs1.
What is the InChIKey of N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is NBDJNZGROMZZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3S2/c1-8(11-4-9(6-20-11)13(14,15)16)17-5-10-7-21-12(18-10)19(2)3/h4,6-8,17H,5H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 335.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 166283647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).