N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

C8H7F3N2OS — CID 62490115

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C2CC2)cs1)C(F)(F)F
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)6(14)13-7-12-5(3-15-7)4-1-2-4/h3-4H,1-2H2,(H,12,13,14)
InChIKeyMOGJARKYDZCNMI-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.52
Rot. Bonds2

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 62490115) has the molecular formula C8H7F3N2OS and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID62490115
Molecular FormulaC8H7F3N2OS
Molecular Weight236.22 g/mol
Exact Mass236.02
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc(C2CC2)cs1)C(F)(F)F
InChIInChI=1S/C8H7F3N2OS/c9-8(10,11)6(14)13-7-12-5(3-15-7)4-1-2-4/h3-4H,1-2H2,(H,12,13,14)
InChIKeyMOGJARKYDZCNMI-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide (CID 62490115) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1nc(C2CC2)cs1)C(F)(F)F.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is MOGJARKYDZCNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2OS/c9-8(10,11)6(14)13-7-12-5(3-15-7)4-1-2-4/h3-4H,1-2H2,(H,12,13,14).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 236.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62490115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).