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

C14H21N3OS — CID 47070623

IUPACN-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCc1nc(CN2CCCC2C(=O)NC2CC2)cs1
InChIInChI=1S/C14H21N3OS/c1-2-13-15-11(9-19-13)8-17-7-3-4-12(17)14(18)16-10-5-6-10/h9-10,12H,2-8H2,1H3,(H,16,18)
InChIKeyARIUJKXISHFAND-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.95
Rot. Bonds5

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

N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 47070623) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID47070623
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCc1nc(CN2CCCC2C(=O)NC2CC2)cs1
InChIInChI=1S/C14H21N3OS/c1-2-13-15-11(9-19-13)8-17-7-3-4-12(17)14(18)16-10-5-6-10/h9-10,12H,2-8H2,1H3,(H,16,18)
InChIKeyARIUJKXISHFAND-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 47070623) is N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is CCc1nc(CN2CCCC2C(=O)NC2CC2)cs1.
What is the InChIKey of N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ARIUJKXISHFAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-13-15-11(9-19-13)8-17-7-3-4-12(17)14(18)16-10-5-6-10/h9-10,12H,2-8H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 47070623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).