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

C14H23N3OS — CID 63142538

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2nc(C(C)C)cs2)CCNC1
InChIInChI=1S/C14H23N3OS/c1-4-5-14(6-7-15-9-14)12(18)17-13-16-11(8-19-13)10(2)3/h8,10,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyDWFSVDFZRYZHIQ-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.98
Rot. Bonds5

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

N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63142538) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63142538
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2nc(C(C)C)cs2)CCNC1
InChIInChI=1S/C14H23N3OS/c1-4-5-14(6-7-15-9-14)12(18)17-13-16-11(8-19-13)10(2)3/h8,10,15H,4-7,9H2,1-3H3,(H,16,17,18)
InChIKeyDWFSVDFZRYZHIQ-UHFFFAOYSA-N
XLogP2.98
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide (CID 63142538) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2nc(C(C)C)cs2)CCNC1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is DWFSVDFZRYZHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-5-14(6-7-15-9-14)12(18)17-13-16-11(8-19-13)10(2)3/h8,10,15H,4-7,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 281.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).