(2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol

C10H15ClN6O4S — CID 174026609

IUPAC(2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@H]1O[C@](C)(CN=[N+]=[N-])[C@H](O)[C@H](O)[C@H]1Nc1nc(Cl)ns1
InChIInChI=1S/C10H15ClN6O4S/c1-10(3-13-17-12)6(19)5(18)4(7(20-2)21-10)14-9-15-8(11)16-22-9/h4-7,18-19H,3H2,1-2H3,(H,14,15,16)/t4-,5-,6-,7+,10-/m1/s1
InChIKeyJIJTZAOZKGMNEK-RFYOXGOASA-N
MW350.79 g/mol
LogP0.77
Rot. Bonds5

About (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol

(2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol (PubChem CID 174026609) has the molecular formula C10H15ClN6O4S and a molecular weight of 350.79 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol
PubChem CID174026609
Molecular FormulaC10H15ClN6O4S
Molecular Weight350.79 g/mol
Exact Mass350.06
IUPAC Name(2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol
SMILESCO[C@H]1O[C@](C)(CN=[N+]=[N-])[C@H](O)[C@H](O)[C@H]1Nc1nc(Cl)ns1
InChIInChI=1S/C10H15ClN6O4S/c1-10(3-13-17-12)6(19)5(18)4(7(20-2)21-10)14-9-15-8(11)16-22-9/h4-7,18-19H,3H2,1-2H3,(H,14,15,16)/t4-,5-,6-,7+,10-/m1/s1
InChIKeyJIJTZAOZKGMNEK-RFYOXGOASA-N
XLogP0.77
TPSA145.49 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.79
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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 (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol (CID 174026609) is (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol is CO[C@H]1O[C@](C)(CN=[N+]=[N-])[C@H](O)[C@H](O)[C@H]1Nc1nc(Cl)ns1.
What is the InChIKey of (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol?
The InChIKey is JIJTZAOZKGMNEK-RFYOXGOASA-N. The full InChI is InChI=1S/C10H15ClN6O4S/c1-10(3-13-17-12)6(19)5(18)4(7(20-2)21-10)14-9-15-8(11)16-22-9/h4-7,18-19H,3H2,1-2H3,(H,14,15,16)/t4-,5-,6-,7+,10-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol?
(2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol has a molecular weight of 350.79 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-2-(azidomethyl)-5-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-6-methoxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 174026609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).