1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C16H23N3O2S — CID 70712693

IUPAC1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(CCCNC(=O)C2CC(=O)N(C3CC3)C2)sc1C
InChIInChI=1S/C16H23N3O2S/c1-10-11(2)22-14(18-10)4-3-7-17-16(21)12-8-15(20)19(9-12)13-5-6-13/h12-13H,3-9H2,1-2H3,(H,17,21)
InChIKeyJDNFYYCYCKFXPV-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.82
Rot. Bonds6

About 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 70712693) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID70712693
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(CCCNC(=O)C2CC(=O)N(C3CC3)C2)sc1C
InChIInChI=1S/C16H23N3O2S/c1-10-11(2)22-14(18-10)4-3-7-17-16(21)12-8-15(20)19(9-12)13-5-6-13/h12-13H,3-9H2,1-2H3,(H,17,21)
InChIKeyJDNFYYCYCKFXPV-UHFFFAOYSA-N
XLogP1.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 70712693) is 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(CCCNC(=O)C2CC(=O)N(C3CC3)C2)sc1C.
What is the InChIKey of 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JDNFYYCYCKFXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-11(2)22-14(18-10)4-3-7-17-16(21)12-8-15(20)19(9-12)13-5-6-13/h12-13H,3-9H2,1-2H3,(H,17,21).
What are the key properties of 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 70712693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).