(Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal

C6H4N4OS — CID 173493810

IUPAC(Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal
SMILES[N-]=[N+]=N/C(C=O)=C\c1cncs1
InChIInChI=1S/C6H4N4OS/c7-10-9-5(3-11)1-6-2-8-4-12-6/h1-4H/b5-1-
InChIKeyYGKSAKNLALKTOQ-KTAJNNJTSA-N
MW180.19 g/mol
LogP1.99
Rot. Bonds3

About (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal

(Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal (PubChem CID 173493810) has the molecular formula C6H4N4OS and a molecular weight of 180.19 g/mol. Its IUPAC name is (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal
PubChem CID173493810
Molecular FormulaC6H4N4OS
Molecular Weight180.19 g/mol
Exact Mass180.01
IUPAC Name(Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal
SMILES[N-]=[N+]=N/C(C=O)=C\c1cncs1
InChIInChI=1S/C6H4N4OS/c7-10-9-5(3-11)1-6-2-8-4-12-6/h1-4H/b5-1-
InChIKeyYGKSAKNLALKTOQ-KTAJNNJTSA-N
XLogP1.99
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;1,3-thiazole-5-carbaldehyde
CID 143223157
3-(1,3-thiazol-5-yl)prop-2-enoic acid
CID 67437915
trans-(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropane-1-carbonyl azide
CID 90395362
N-tert-butylsulfanyl-1-(1,3-thiazol-5-yl)methanimine
CID 175560337
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 68849301
(R)-2-methyl-N-(1,3-thiazol-5-ylmethylidene)propane-2-sulfinamide
CID 172744712
CID 167638671
CID 167638671
4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide
CID 146025236
5-(1,3-thiazol-5-yl)pyrazine-2-carbaldehyde
CID 82403529
(E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-5-yl)prop-2-enamide
CID 146025171
N-[3-(1,3-thiazol-5-yl)thiophen-2-yl]acetamide
CID 18667979
5-(piperidin-4-ylidenemethyl)-1,3-thiazole
CID 112645499

Frequently Asked Questions

What is the IUPAC name of (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal?
The IUPAC name of (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal (CID 173493810) is (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal.
What is the SMILES notation for (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal?
The canonical SMILES for (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal is [N-]=[N+]=N/C(C=O)=C\c1cncs1.
What is the InChIKey of (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal?
The InChIKey is YGKSAKNLALKTOQ-KTAJNNJTSA-N. The full InChI is InChI=1S/C6H4N4OS/c7-10-9-5(3-11)1-6-2-8-4-12-6/h1-4H/b5-1-.
What are the key properties of (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal?
(Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal has a molecular weight of 180.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-azido-3-(1,3-thiazol-5-yl)prop-2-enal is sourced from PubChem (CID 173493810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).