(4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole

C6H10N4S2 — CID 139247966

IUPAC(4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESCCSC1=N[C@H](CN=[N+]=[N-])CS1
InChIInChI=1S/C6H10N4S2/c1-2-11-6-9-5(4-12-6)3-8-10-7/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyOVBNSADVDOIOBB-RXMQYKEDSA-N
MW202.31 g/mol
LogP2.52
Rot. Bonds3

About (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole

(4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole (PubChem CID 139247966) has the molecular formula C6H10N4S2 and a molecular weight of 202.31 g/mol. Its IUPAC name is (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole
PubChem CID139247966
Molecular FormulaC6H10N4S2
Molecular Weight202.31 g/mol
Exact Mass202.03
IUPAC Name(4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole
SMILESCCSC1=N[C@H](CN=[N+]=[N-])CS1
InChIInChI=1S/C6H10N4S2/c1-2-11-6-9-5(4-12-6)3-8-10-7/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyOVBNSADVDOIOBB-RXMQYKEDSA-N
XLogP2.52
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole (CID 139247966) is (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole is CCSC1=N[C@H](CN=[N+]=[N-])CS1.
What is the InChIKey of (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole?
The InChIKey is OVBNSADVDOIOBB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N4S2/c1-2-11-6-9-5(4-12-6)3-8-10-7/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole?
(4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole has a molecular weight of 202.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(azidomethyl)-2-ethylsulfanyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 139247966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).