5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine

C13H15N3S — CID 15171029

IUPAC5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
SMILESc1ccc(C2=NN=C(N3CCCC3)SC2)cc1
InChIInChI=1S/C13H15N3S/c1-2-6-11(7-3-1)12-10-17-13(15-14-12)16-8-4-5-9-16/h1-3,6-7H,4-5,8-10H2
InChIKeyLPQZUHCOYVUKTN-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.59
Rot. Bonds1

About 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine

5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine (PubChem CID 15171029) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine.

Molecular Properties

Compound Name5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
PubChem CID15171029
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine
SMILESc1ccc(C2=NN=C(N3CCCC3)SC2)cc1
InChIInChI=1S/C13H15N3S/c1-2-6-11(7-3-1)12-10-17-13(15-14-12)16-8-4-5-9-16/h1-3,6-7H,4-5,8-10H2
InChIKeyLPQZUHCOYVUKTN-UHFFFAOYSA-N
XLogP2.59
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
The IUPAC name of 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine (CID 15171029) is 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine.
What is the SMILES notation for 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
The canonical SMILES for 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine is c1ccc(C2=NN=C(N3CCCC3)SC2)cc1.
What is the InChIKey of 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
The InChIKey is LPQZUHCOYVUKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-6-11(7-3-1)12-10-17-13(15-14-12)16-8-4-5-9-16/h1-3,6-7H,4-5,8-10H2.
What are the key properties of 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine?
5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine has a molecular weight of 245.35 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyrrolidin-1-yl-6H-1,3,4-thiadiazine is sourced from PubChem (CID 15171029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).