N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide

C14H21N3OS — CID 106974990

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2nc(C3CC3)cs2)CCCN1
InChIInChI=1S/C14H21N3OS/c1-2-6-14(7-3-8-15-14)12(18)17-13-16-11(9-19-13)10-4-5-10/h9-10,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyBRYJDOJLHGGUMK-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.88
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974990) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974990
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2nc(C3CC3)cs2)CCCN1
InChIInChI=1S/C14H21N3OS/c1-2-6-14(7-3-8-15-14)12(18)17-13-16-11(9-19-13)10-4-5-10/h9-10,15H,2-8H2,1H3,(H,16,17,18)
InChIKeyBRYJDOJLHGGUMK-UHFFFAOYSA-N
XLogP2.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide (CID 106974990) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2nc(C3CC3)cs2)CCCN1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is BRYJDOJLHGGUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-6-14(7-3-8-15-14)12(18)17-13-16-11(9-19-13)10-4-5-10/h9-10,15H,2-8H2,1H3,(H,16,17,18).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).