N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C14H20F3N3S — CID 75428426

IUPACN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCc1cnc(C(NC2CCN(CC(F)(F)F)C2)C2CC2)s1
InChIInChI=1S/C14H20F3N3S/c1-9-6-18-13(21-9)12(10-2-3-10)19-11-4-5-20(7-11)8-14(15,16)17/h6,10-12,19H,2-5,7-8H2,1H3
InChIKeyNJTXZEDNFPRIPT-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.13
Rot. Bonds5

About N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 75428426) has the molecular formula C14H20F3N3S and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID75428426
Molecular FormulaC14H20F3N3S
Molecular Weight319.40 g/mol
Exact Mass319.13
IUPAC NameN-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCc1cnc(C(NC2CCN(CC(F)(F)F)C2)C2CC2)s1
InChIInChI=1S/C14H20F3N3S/c1-9-6-18-13(21-9)12(10-2-3-10)19-11-4-5-20(7-11)8-14(15,16)17/h6,10-12,19H,2-5,7-8H2,1H3
InChIKeyNJTXZEDNFPRIPT-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 75428426) is N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is Cc1cnc(C(NC2CCN(CC(F)(F)F)C2)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is NJTXZEDNFPRIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3S/c1-9-6-18-13(21-9)12(10-2-3-10)19-11-4-5-20(7-11)8-14(15,16)17/h6,10-12,19H,2-5,7-8H2,1H3.
What are the key properties of N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 319.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 75428426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).