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

C10H17N3S — CID 63242038

IUPACN-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine
SMILESCNC1CCN(CCc2nccs2)C1
InChIInChI=1S/C10H17N3S/c1-11-9-2-5-13(8-9)6-3-10-12-4-7-14-10/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyVHGQDGPZRSWOQN-UHFFFAOYSA-N
MW211.33 g/mol
LogP0.98
Rot. Bonds4

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

N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine (PubChem CID 63242038) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine
PubChem CID63242038
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine
SMILESCNC1CCN(CCc2nccs2)C1
InChIInChI=1S/C10H17N3S/c1-11-9-2-5-13(8-9)6-3-10-12-4-7-14-10/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyVHGQDGPZRSWOQN-UHFFFAOYSA-N
XLogP0.98
TPSA28.16 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine (CID 63242038) is N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine is CNC1CCN(CCc2nccs2)C1.
What is the InChIKey of N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is VHGQDGPZRSWOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-11-9-2-5-13(8-9)6-3-10-12-4-7-14-10/h4,7,9,11H,2-3,5-6,8H2,1H3.
What are the key properties of N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine?
N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 211.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63242038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).