N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C9H10ClF3N2S — CID 79764334

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1cnc(Cl)s1)C1CC1
InChIInChI=1S/C9H10ClF3N2S/c10-8-14-3-7(16-8)4-15(6-1-2-6)5-9(11,12)13/h3,6H,1-2,4-5H2
InChIKeyWQVARVHODOVVJR-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.32
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 79764334) has the molecular formula C9H10ClF3N2S and a molecular weight of 270.71 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID79764334
Molecular FormulaC9H10ClF3N2S
Molecular Weight270.71 g/mol
Exact Mass270.02
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1cnc(Cl)s1)C1CC1
InChIInChI=1S/C9H10ClF3N2S/c10-8-14-3-7(16-8)4-15(6-1-2-6)5-9(11,12)13/h3,6H,1-2,4-5H2
InChIKeyWQVARVHODOVVJR-UHFFFAOYSA-N
XLogP3.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 79764334) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(Cc1cnc(Cl)s1)C1CC1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is WQVARVHODOVVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2S/c10-8-14-3-7(16-8)4-15(6-1-2-6)5-9(11,12)13/h3,6H,1-2,4-5H2.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 270.71 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 79764334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).