(3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone

C8H9N5OS — CID 121200546

IUPAC(3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CC(N=[N+]=[N-])C1
InChIInChI=1S/C8H9N5OS/c1-5-7(15-4-10-5)8(14)13-2-6(3-13)11-12-9/h4,6H,2-3H2,1H3
InChIKeyDIZMBAHZBSKQEY-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.59
Rot. Bonds2

About (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone

(3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 121200546) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID121200546
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name(3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CC(N=[N+]=[N-])C1
InChIInChI=1S/C8H9N5OS/c1-5-7(15-4-10-5)8(14)13-2-6(3-13)11-12-9/h4,6H,2-3H2,1H3
InChIKeyDIZMBAHZBSKQEY-UHFFFAOYSA-N
XLogP1.59
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.59
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

(3-amino-4-methylpyrrolidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 103575811
[(3aS,4S,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124617708
[4-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 60957245
(3-azidoazetidin-1-yl)-pyrazin-2-ylmethanone
CID 121200757
[3-(2-methoxyphenoxy)azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 70785183
[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900922
(6S)-1-methyl-4-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124956759
4-(4-methyl-1,3-thiazole-5-carbonyl)piperazine-1-sulfonamide
CID 61130893
methyl (3R,4S)-4-(4-fluorophenyl)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylate
CID 16674222
[3-[(4-bromopyrazol-1-yl)methyl]azetidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 146074883
[3-(4-fluorophenyl)azepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 121146323

Frequently Asked Questions

What is the IUPAC name of (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone (CID 121200546) is (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CC(N=[N+]=[N-])C1.
What is the InChIKey of (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is DIZMBAHZBSKQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-5-7(15-4-10-5)8(14)13-2-6(3-13)11-12-9/h4,6H,2-3H2,1H3.
What are the key properties of (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone?
(3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 223.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-azidoazetidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 121200546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).