N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide

C17H16F3N3O2S — CID 5105483

IUPACN-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1)Nc1nccs1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)13-5-3-12(4-6-13)15(25)23(9-11-1-2-11)10-14(24)22-16-21-7-8-26-16/h3-8,11H,1-2,9-10H2,(H,21,22,24)
InChIKeyLBIITKRGSRBRBZ-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.65
Rot. Bonds6

About N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide

N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 5105483) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID5105483
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC NameN-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(CN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1)Nc1nccs1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)13-5-3-12(4-6-13)15(25)23(9-11-1-2-11)10-14(24)22-16-21-7-8-26-16/h3-8,11H,1-2,9-10H2,(H,21,22,24)
InChIKeyLBIITKRGSRBRBZ-UHFFFAOYSA-N
XLogP3.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide (CID 5105483) is N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide is O=C(CN(CC1CC1)C(=O)c1ccc(C(F)(F)F)cc1)Nc1nccs1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is LBIITKRGSRBRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c18-17(19,20)13-5-3-12(4-6-13)15(25)23(9-11-1-2-11)10-14(24)22-16-21-7-8-26-16/h3-8,11H,1-2,9-10H2,(H,21,22,24).
What are the key properties of N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide?
N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 383.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 5105483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).