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

C12H19N3OS — CID 47377169

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCc1nc(CN2CCCC2C(=O)NC)cs1
InChIInChI=1S/C12H19N3OS/c1-3-11-14-9(8-17-11)7-15-6-4-5-10(15)12(16)13-2/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyRSTGCDHVERRRKX-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.42
Rot. Bonds4

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

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 47377169) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID47377169
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCc1nc(CN2CCCC2C(=O)NC)cs1
InChIInChI=1S/C12H19N3OS/c1-3-11-14-9(8-17-11)7-15-6-4-5-10(15)12(16)13-2/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyRSTGCDHVERRRKX-UHFFFAOYSA-N
XLogP1.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide (CID 47377169) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide is CCc1nc(CN2CCCC2C(=O)NC)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RSTGCDHVERRRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-11-14-9(8-17-11)7-15-6-4-5-10(15)12(16)13-2/h8,10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47377169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).