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

C10H17N3S — CID 115089840

IUPACN-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine
SMILESCNCCc1cnc(C2CCNC2)s1
InChIInChI=1S/C10H17N3S/c1-11-4-3-9-7-13-10(14-9)8-2-5-12-6-8/h7-8,11-12H,2-6H2,1H3
InChIKeyZRXUZRTVQKTSSA-UHFFFAOYSA-N
MW211.33 g/mol
LogP0.98
Rot. Bonds4

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

N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 115089840) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID115089840
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine
SMILESCNCCc1cnc(C2CCNC2)s1
InChIInChI=1S/C10H17N3S/c1-11-4-3-9-7-13-10(14-9)8-2-5-12-6-8/h7-8,11-12H,2-6H2,1H3
InChIKeyZRXUZRTVQKTSSA-UHFFFAOYSA-N
XLogP0.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089835
2-[2-(1,1-dioxothian-4-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115089963
N-methyl-2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089980
N-methyl-3-(2-pyrrolidin-2-yl-1,3-thiazol-5-yl)propan-1-amine
CID 115090579
5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 115041800
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115698880
2-pyrrolidin-3-yl-1,3-thiazole-5-carbaldehyde
CID 115089760
2-[2-(fluoromethyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84766700
N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085300
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 115699018
5-[(3-fluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole
CID 93202830
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine
CID 115698956

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine (CID 115089840) is N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine is CNCCc1cnc(C2CCNC2)s1.
What is the InChIKey of N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is ZRXUZRTVQKTSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-11-4-3-9-7-13-10(14-9)8-2-5-12-6-8/h7-8,11-12H,2-6H2,1H3.
What are the key properties of N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine?
N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115089840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).