2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

C18H25F3N6O3S — CID 155952662

IUPAC2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCN(CC(=O)N(C)C)Cc1cnc(-c2ncccn2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N6OS.C2HF3O2/c1-20(2)8-9-22(12-14(23)21(3)4)11-13-10-19-16(24-13)15-17-6-5-7-18-15;3-2(4,5)1(6)7/h5-7,10H,8-9,11-12H2,1-4H3;(H,6,7)
InChIKeyWRSUDHMSLHJSPJ-UHFFFAOYSA-N
MW462.50 g/mol
LogP1.69
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid

2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155952662) has the molecular formula C18H25F3N6O3S and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155952662
Molecular FormulaC18H25F3N6O3S
Molecular Weight462.50 g/mol
Exact Mass462.17
IUPAC Name2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCN(CC(=O)N(C)C)Cc1cnc(-c2ncccn2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N6OS.C2HF3O2/c1-20(2)8-9-22(12-14(23)21(3)4)11-13-10-19-16(24-13)15-17-6-5-7-18-15;3-2(4,5)1(6)7/h5-7,10H,8-9,11-12H2,1-4H3;(H,6,7)
InChIKeyWRSUDHMSLHJSPJ-UHFFFAOYSA-N
XLogP1.69
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 155952662) is 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is CN(C)CCN(CC(=O)N(C)C)Cc1cnc(-c2ncccn2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is WRSUDHMSLHJSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS.C2HF3O2/c1-20(2)8-9-22(12-14(23)21(3)4)11-13-10-19-16(24-13)15-17-6-5-7-18-15;3-2(4,5)1(6)7/h5-7,10H,8-9,11-12H2,1-4H3;(H,6,7).
What are the key properties of 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 462.50 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methyl]amino]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155952662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).