N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine

C10H17N3S — CID 63823778

IUPACN-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1nc(CCNCC2CCCN2)cs1
InChIInChI=1S/C10H17N3S/c1-2-9(12-4-1)6-11-5-3-10-7-14-8-13-10/h7-9,11-12H,1-6H2
InChIKeyGIQQOSLJKUDYAB-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.03
Rot. Bonds5

About N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine

N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 63823778) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID63823778
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1nc(CCNCC2CCCN2)cs1
InChIInChI=1S/C10H17N3S/c1-2-9(12-4-1)6-11-5-3-10-7-14-8-13-10/h7-9,11-12H,1-6H2
InChIKeyGIQQOSLJKUDYAB-UHFFFAOYSA-N
XLogP1.03
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916054
N-(cyclopentylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830953
1-pyrrolidin-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63825222
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
2-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63824820
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141
N-[2-(1,3-thiazol-4-yl)ethyl]azepan-4-amine
CID 103982153
N-(oxan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63831696
2-(1H-imidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106639435
N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830252
N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829717
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829903

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (CID 63823778) is N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is c1nc(CCNCC2CCCN2)cs1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is GIQQOSLJKUDYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-9(12-4-1)6-11-5-3-10-7-14-8-13-10/h7-9,11-12H,1-6H2.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 63823778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).