4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one

C13H19N5OS — CID 168655888

IUPAC4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)c1csc(CN2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)10-8-20-11(16-10)7-18-6-9(4-12(18)19)5-15-17-14/h8-9H,4-7H2,1-3H3
InChIKeyURVXQHGRGCECGS-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.10
Rot. Bonds4

About 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one

4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 168655888) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one
PubChem CID168655888
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)c1csc(CN2CC(CN=[N+]=[N-])CC2=O)n1
InChIInChI=1S/C13H19N5OS/c1-13(2,3)10-8-20-11(16-10)7-18-6-9(4-12(18)19)5-15-17-14/h8-9H,4-7H2,1-3H3
InChIKeyURVXQHGRGCECGS-UHFFFAOYSA-N
XLogP3.10
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(azidomethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-2-one
CID 168657419
4-(azidomethyl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 168657130
4-(azidomethyl)-1-[2-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168656177
1-(3-aminopentyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168655557
1-(2-anilinoethyl)-4-(azidomethyl)pyrrolidin-2-one
CID 168657197
4-(azidomethyl)-1-[2-(1-ethylpiperidin-4-yl)ethyl]pyrrolidin-2-one
CID 168656073
3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 99781601
4-(azidomethyl)-1-(1-benzofuran-2-ylmethyl)pyrrolidin-2-one
CID 168657382
4-(azidomethyl)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-one
CID 168657379
2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 168656175
4-(azidomethyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 168656366
tert-butyl 4-[2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]ethyl]piperidine-1-carboxylate
CID 168655844

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one (CID 168655888) is 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one is CC(C)(C)c1csc(CN2CC(CN=[N+]=[N-])CC2=O)n1.
What is the InChIKey of 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is URVXQHGRGCECGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-13(2,3)10-8-20-11(16-10)7-18-6-9(4-12(18)19)5-15-17-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one?
4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 293.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168655888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).