N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide

C14H19N3O2S — CID 47426234

IUPACN-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCc1ncc(C(=O)N2CCCC2C(=O)NC2CC2)s1
InChIInChI=1S/C14H19N3O2S/c1-2-12-15-8-11(20-12)14(19)17-7-3-4-10(17)13(18)16-9-5-6-9/h8-10H,2-7H2,1H3,(H,16,18)
InChIKeyVLPMPALHCCVTGD-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.59
Rot. Bonds4

About N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide

N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 47426234) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
PubChem CID47426234
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide
SMILESCCc1ncc(C(=O)N2CCCC2C(=O)NC2CC2)s1
InChIInChI=1S/C14H19N3O2S/c1-2-12-15-8-11(20-12)14(19)17-7-3-4-10(17)13(18)16-9-5-6-9/h8-10H,2-7H2,1H3,(H,16,18)
InChIKeyVLPMPALHCCVTGD-UHFFFAOYSA-N
XLogP1.59
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.59
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-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide (CID 47426234) is N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide is CCc1ncc(C(=O)N2CCCC2C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is VLPMPALHCCVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-12-15-8-11(20-12)14(19)17-7-3-4-10(17)13(18)16-9-5-6-9/h8-10H,2-7H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-1-(2-ethyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.59, 4 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-thiazole-5-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47426234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).