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

C10H14F3N3S — CID 139500937

IUPACN-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC2C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3S/c1-14-9-15-5-7(17-9)6-16-4-2-3-8(16)10(11,12)13/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyIKDYQSYEJCWQKR-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.71
Rot. Bonds3

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

N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 139500937) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID139500937
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC2C(F)(F)F)s1
InChIInChI=1S/C10H14F3N3S/c1-14-9-15-5-7(17-9)6-16-4-2-3-8(16)10(11,12)13/h5,8H,2-4,6H2,1H3,(H,14,15)
InChIKeyIKDYQSYEJCWQKR-UHFFFAOYSA-N
XLogP2.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 139500937) is N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is CNc1ncc(CN2CCCC2C(F)(F)F)s1.
What is the InChIKey of N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is IKDYQSYEJCWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-14-9-15-5-7(17-9)6-16-4-2-3-8(16)10(11,12)13/h5,8H,2-4,6H2,1H3,(H,14,15).
What are the key properties of N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 265.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 139500937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).