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

C10H17N3S — CID 164645563

IUPACN-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(C)C1c1ccns1
InChIInChI=1S/C10H17N3S/c1-11-7-8-4-6-13(2)10(8)9-3-5-12-14-9/h3,5,8,10-11H,4,6-7H2,1-2H3
InChIKeyREOKGSVCDZHKGZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.36
Rot. Bonds3

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

N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine (PubChem CID 164645563) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine
PubChem CID164645563
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(C)C1c1ccns1
InChIInChI=1S/C10H17N3S/c1-11-7-8-4-6-13(2)10(8)9-3-5-12-14-9/h3,5,8,10-11H,4,6-7H2,1-2H3
InChIKeyREOKGSVCDZHKGZ-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1,2-thiazole
CID 44456446
5-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1,2-thiazole
CID 44456449
5-(1-Fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole
CID 130874791
5-[Fluoro(pyrrolidin-2-yl)methyl]-1,2-thiazole
CID 131172922
5-[1-(2-Azabicyclo[2.1.1]hexan-5-yl)-1-fluoroethyl]-1,2-thiazole
CID 133671852
5-(2-Azaspiro[4.4]nonan-8-yl)-1,2-thiazole
CID 11694156
5-(1-Azaspiro[4.4]nonan-8-yl)-1,2-thiazole
CID 11708288
5-(5-Azaspiro[3.4]octan-2-yl)-1,2-thiazole
CID 68652430
5-(1-Azaspiro[4.5]decan-8-yl)-1,2-thiazole
CID 68652466
5-(4-Azaspiro[2.4]heptan-2-yl)-1,2-thiazole
CID 68652829
5-Spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine]-3-yl-1,2-thiazole
CID 69340714
5-Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-2-yl-1,2-thiazole
CID 69341078

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine (CID 164645563) is N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine is CNCC1CCN(C)C1c1ccns1.
What is the InChIKey of N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is REOKGSVCDZHKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-11-7-8-4-6-13(2)10(8)9-3-5-12-14-9/h3,5,8,10-11H,4,6-7H2,1-2H3.
What are the key properties of N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-methyl-2-(1,2-thiazol-5-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 164645563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).