(2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide

C13H17IN6OS — CID 177329076

IUPAC(2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide
SMILESCc1csc([C@H]2CN(C3=CN4NNN=C4C=C3)CCO2)n1.I
InChIInChI=1S/C13H16N6OS.HI/c1-9-8-21-13(14-9)11-7-18(4-5-20-11)10-2-3-12-15-16-17-19(12)6-10;/h2-3,6,8,11,16-17H,4-5,7H2,1H3;1H/t11-;/m1./s1
InChIKeyJRKRGGWYDWXPAV-RFVHGSKJSA-N
MW432.29 g/mol
LogP1.49
Rot. Bonds2

About (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide

(2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide (PubChem CID 177329076) has the molecular formula C13H17IN6OS and a molecular weight of 432.29 g/mol. Its IUPAC name is (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide.

Molecular Properties

Compound Name(2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide
PubChem CID177329076
Molecular FormulaC13H17IN6OS
Molecular Weight432.29 g/mol
Exact Mass432.02
IUPAC Name(2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide
SMILESCc1csc([C@H]2CN(C3=CN4NNN=C4C=C3)CCO2)n1.I
InChIInChI=1S/C13H16N6OS.HI/c1-9-8-21-13(14-9)11-7-18(4-5-20-11)10-2-3-12-15-16-17-19(12)6-10;/h2-3,6,8,11,16-17H,4-5,7H2,1H3;1H/t11-;/m1./s1
InChIKeyJRKRGGWYDWXPAV-RFVHGSKJSA-N
XLogP1.49
TPSA65.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide?
The IUPAC name of (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide (CID 177329076) is (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide.
What is the SMILES notation for (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide?
The canonical SMILES for (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide is Cc1csc([C@H]2CN(C3=CN4NNN=C4C=C3)CCO2)n1.I.
What is the InChIKey of (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide?
The InChIKey is JRKRGGWYDWXPAV-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H16N6OS.HI/c1-9-8-21-13(14-9)11-7-18(4-5-20-11)10-2-3-12-15-16-17-19(12)6-10;/h2-3,6,8,11,16-17H,4-5,7H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide?
(2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide has a molecular weight of 432.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,3-dihydrotetrazolo[1,5-a]pyridin-6-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine;hydroiodide is sourced from PubChem (CID 177329076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).