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N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

C11H19Cl2N3OS — CID 119841463

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1nc(CCNC(=O)C2CCNC2)cs1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-14-10(7-16-8)3-5-13-11(15)9-2-4-12-6-9;;/h7,9,12H,2-6H2,1H3,(H,13,15);2*1H
InChIKeyFVLVJNAWKJRDLV-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119841463) has the molecular formula C11H19Cl2N3OS and a molecular weight of 312.27 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119841463
Molecular FormulaC11H19Cl2N3OS
Molecular Weight312.27 g/mol
Exact Mass311.06
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1nc(CCNC(=O)C2CCNC2)cs1.Cl.Cl
InChIInChI=1S/C11H17N3OS.2ClH/c1-8-14-10(7-16-8)3-5-13-11(15)9-2-4-12-6-9;;/h7,9,12H,2-6H2,1H3,(H,13,15);2*1H
InChIKeyFVLVJNAWKJRDLV-UHFFFAOYSA-N
XLogP1.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119841463) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride is Cc1nc(CCNC(=O)C2CCNC2)cs1.Cl.Cl.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is FVLVJNAWKJRDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS.2ClH/c1-8-14-10(7-16-8)3-5-13-11(15)9-2-4-12-6-9;;/h7,9,12H,2-6H2,1H3,(H,13,15);2*1H.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 312.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119841463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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