N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine

C15H17N5O2S2 — CID 155798603

IUPACN-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1nnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)C2)s1
InChIInChI=1S/C15H17N5O2S2/c1-10-16-17-15(23-10)20-8-7-11(9-20)19(2)14-12-5-3-4-6-13(12)24(21,22)18-14/h3-6,11H,7-9H2,1-2H3
InChIKeyPUPRBGGIGBXFHE-UHFFFAOYSA-N
MW363.47 g/mol
LogP1.51
Rot. Bonds2

About N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine

N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine (PubChem CID 155798603) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
PubChem CID155798603
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC NameN-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine
SMILESCc1nnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)C2)s1
InChIInChI=1S/C15H17N5O2S2/c1-10-16-17-15(23-10)20-8-7-11(9-20)19(2)14-12-5-3-4-6-13(12)24(21,22)18-14/h3-6,11H,7-9H2,1-2H3
InChIKeyPUPRBGGIGBXFHE-UHFFFAOYSA-N
XLogP1.51
TPSA78.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
The IUPAC name of N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine (CID 155798603) is N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine.
What is the SMILES notation for N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
The canonical SMILES for N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine is Cc1nnc(N2CCC(N(C)C3=NS(=O)(=O)c4ccccc43)C2)s1.
What is the InChIKey of N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
The InChIKey is PUPRBGGIGBXFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-10-16-17-15(23-10)20-8-7-11(9-20)19(2)14-12-5-3-4-6-13(12)24(21,22)18-14/h3-6,11H,7-9H2,1-2H3.
What are the key properties of N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine?
N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine has a molecular weight of 363.47 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-1,1-dioxo-1,2-benzothiazol-3-amine is sourced from PubChem (CID 155798603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).