N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

C20H25F3N4O2S — CID 23296368

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1)C(C)C
InChIInChI=1S/C20H25F3N4O2S/c1-12(2)27(13(3)4)9-8-24-18(29)16-11-30-19(25-16)26-17(28)14-6-5-7-15(10-14)20(21,22)23/h5-7,10-13H,8-9H2,1-4H3,(H,24,29)(H,25,26,28)
InChIKeyVULOGHYHTFOTIW-UHFFFAOYSA-N
MW442.51 g/mol
LogP4.26
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 23296368) has the molecular formula C20H25F3N4O2S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID23296368
Molecular FormulaC20H25F3N4O2S
Molecular Weight442.51 g/mol
Exact Mass442.17
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CCNC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1)C(C)C
InChIInChI=1S/C20H25F3N4O2S/c1-12(2)27(13(3)4)9-8-24-18(29)16-11-30-19(25-16)26-17(28)14-6-5-7-15(10-14)20(21,22)23/h5-7,10-13H,8-9H2,1-4H3,(H,24,29)(H,25,26,28)
InChIKeyVULOGHYHTFOTIW-UHFFFAOYSA-N
XLogP4.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide (CID 23296368) is N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is CC(C)N(CCNC(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is VULOGHYHTFOTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2S/c1-12(2)27(13(3)4)9-8-24-18(29)16-11-30-19(25-16)26-17(28)14-6-5-7-15(10-14)20(21,22)23/h5-7,10-13H,8-9H2,1-4H3,(H,24,29)(H,25,26,28).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23296368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).