2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide

C11H9N9OS — CID 118944498

IUPAC2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
SMILES[N-]=[N+]=NCC(=O)N(CN=[N+]=[N-])c1cnc(-c2cccnc2)s1
InChIInChI=1S/C11H9N9OS/c12-18-16-5-9(21)20(7-17-19-13)10-6-15-11(22-10)8-2-1-3-14-4-8/h1-4,6H,5,7H2
InChIKeyQAVBTNXDASJLKU-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.12
Rot. Bonds6

About 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide

2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 118944498) has the molecular formula C11H9N9OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
PubChem CID118944498
Molecular FormulaC11H9N9OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
SMILES[N-]=[N+]=NCC(=O)N(CN=[N+]=[N-])c1cnc(-c2cccnc2)s1
InChIInChI=1S/C11H9N9OS/c12-18-16-5-9(21)20(7-17-19-13)10-6-15-11(22-10)8-2-1-3-14-4-8/h1-4,6H,5,7H2
InChIKeyQAVBTNXDASJLKU-UHFFFAOYSA-N
XLogP3.12
TPSA143.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
tert-butyl N-prop-2-ynyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 153321701
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide
CID 162396327
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
CID 82422643
N-(4,5-dihydro-1,3-thiazol-2-yl)-N-ethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 90019138
N-ethyl-N-methoxy-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 58236291
2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 58236218
tert-butyl N-(4-bromo-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-methylcarbamate;tert-butyl N-methyl-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;methane
CID 158950434
3-azido-N-[4-(azidomethyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]-2-hydrazinylpropanamide
CID 118944651
3-methylsulfanyl-N-phenyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 66634813

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide (CID 118944498) is 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide is [N-]=[N+]=NCC(=O)N(CN=[N+]=[N-])c1cnc(-c2cccnc2)s1.
What is the InChIKey of 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is QAVBTNXDASJLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N9OS/c12-18-16-5-9(21)20(7-17-19-13)10-6-15-11(22-10)8-2-1-3-14-4-8/h1-4,6H,5,7H2.
What are the key properties of 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide?
2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 315.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(azidomethyl)-N-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 118944498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).