N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine

C10H17N3S — CID 62752084

IUPACN-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine
SMILESCNC(C)c1cnc(N2CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-8(11-2)9-7-12-10(14-9)13-5-3-4-6-13/h7-8,11H,3-6H2,1-2H3
InChIKeyIKHOPKLGCVPZRS-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine

N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 62752084) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID62752084
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine
SMILESCNC(C)c1cnc(N2CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-8(11-2)9-7-12-10(14-9)13-5-3-4-6-13/h7-8,11H,3-6H2,1-2H3
InChIKeyIKHOPKLGCVPZRS-UHFFFAOYSA-N
XLogP2.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine (CID 62752084) is N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine is CNC(C)c1cnc(N2CCCC2)s1.
What is the InChIKey of N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is IKHOPKLGCVPZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8(11-2)9-7-12-10(14-9)13-5-3-4-6-13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine?
N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 62752084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).