N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide

C14H20N4O2S — CID 117089736

IUPACN-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(NCCCN2CCCC2=O)s1
InChIInChI=1S/C14H20N4O2S/c19-12-3-1-7-18(12)8-2-6-15-14-16-9-11(21-14)13(20)17-10-4-5-10/h9-10H,1-8H2,(H,15,16)(H,17,20)
InChIKeyIWWYFCLHCWAOST-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.46
Rot. Bonds7

About N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide

N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide (PubChem CID 117089736) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
PubChem CID117089736
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(NCCCN2CCCC2=O)s1
InChIInChI=1S/C14H20N4O2S/c19-12-3-1-7-18(12)8-2-6-15-14-16-9-11(21-14)13(20)17-10-4-5-10/h9-10H,1-8H2,(H,15,16)(H,17,20)
InChIKeyIWWYFCLHCWAOST-UHFFFAOYSA-N
XLogP1.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide (CID 117089736) is N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide is O=C(NC1CC1)c1cnc(NCCCN2CCCC2=O)s1.
What is the InChIKey of N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide?
The InChIKey is IWWYFCLHCWAOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-12-3-1-7-18(12)8-2-6-15-14-16-9-11(21-14)13(20)17-10-4-5-10/h9-10H,1-8H2,(H,15,16)(H,17,20).
What are the key properties of N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide?
N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117089736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).