N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C13H11ClF3N3S — CID 103445237

IUPACN-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1nc(-c2ncccc2Cl)sc1CNC1CC1
InChIInChI=1S/C13H11ClF3N3S/c14-8-2-1-5-18-10(8)12-20-11(13(15,16)17)9(21-12)6-19-7-3-4-7/h1-2,5,7,19H,3-4,6H2
InChIKeyXXWAJVJJLBBIIM-UHFFFAOYSA-N
MW333.77 g/mol
LogP4.13
Rot. Bonds4

About N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 103445237) has the molecular formula C13H11ClF3N3S and a molecular weight of 333.77 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID103445237
Molecular FormulaC13H11ClF3N3S
Molecular Weight333.77 g/mol
Exact Mass333.03
IUPAC NameN-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)c1nc(-c2ncccc2Cl)sc1CNC1CC1
InChIInChI=1S/C13H11ClF3N3S/c14-8-2-1-5-18-10(8)12-20-11(13(15,16)17)9(21-12)6-19-7-3-4-7/h1-2,5,7,19H,3-4,6H2
InChIKeyXXWAJVJJLBBIIM-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 103445237) is N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is FC(F)(F)c1nc(-c2ncccc2Cl)sc1CNC1CC1.
What is the InChIKey of N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is XXWAJVJJLBBIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3S/c14-8-2-1-5-18-10(8)12-20-11(13(15,16)17)9(21-12)6-19-7-3-4-7/h1-2,5,7,19H,3-4,6H2.
What are the key properties of N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 333.77 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103445237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).