N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C15H23N5O2S — CID 166281664

IUPACN-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCCNC1=O)C1CCCN1c1nccs1
InChIInChI=1S/C15H23N5O2S/c21-13(12-4-1-10-20(12)15-18-7-11-23-15)16-5-2-8-19-9-3-6-17-14(19)22/h7,11-12H,1-6,8-10H2,(H,16,21)(H,17,22)
InChIKeyVSKYZDRNJIIDKU-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.03
Rot. Bonds6

About N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 166281664) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID166281664
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCCNC1=O)C1CCCN1c1nccs1
InChIInChI=1S/C15H23N5O2S/c21-13(12-4-1-10-20(12)15-18-7-11-23-15)16-5-2-8-19-9-3-6-17-14(19)22/h7,11-12H,1-6,8-10H2,(H,16,21)(H,17,22)
InChIKeyVSKYZDRNJIIDKU-UHFFFAOYSA-N
XLogP1.03
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.03
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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Related Compounds

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822352
(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 97019874
(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124546926
(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124570759
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51936972
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822019
(2S)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95342420
(2R)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94829105
2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate
CID 174952449
N-[5-(2-hydroxypropan-2-yl)-1,3,4-thiadiazol-2-yl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 155950021
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95761691
methyl 4-methyl-3-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]benzoate
CID 42891704

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 166281664) is N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(NCCCN1CCCNC1=O)C1CCCN1c1nccs1.
What is the InChIKey of N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is VSKYZDRNJIIDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c21-13(12-4-1-10-20(12)15-18-7-11-23-15)16-5-2-8-19-9-3-6-17-14(19)22/h7,11-12H,1-6,8-10H2,(H,16,21)(H,17,22).
What are the key properties of N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166281664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).