N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H15N5O3S2 — CID 61275211

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C11H15N5O3S2/c1-6(9-14-13-8-4-3-5-16(8)9)15-21(18,19)10-7(2)12-11(17)20-10/h6,15H,3-5H2,1-2H3,(H,12,17)
InChIKeyOAMVLODJXDQCST-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.32
Rot. Bonds4

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 61275211) has the molecular formula C11H15N5O3S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID61275211
Molecular FormulaC11H15N5O3S2
Molecular Weight329.41 g/mol
Exact Mass329.06
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C11H15N5O3S2/c1-6(9-14-13-8-4-3-5-16(8)9)15-21(18,19)10-7(2)12-11(17)20-10/h6,15H,3-5H2,1-2H3,(H,12,17)
InChIKeyOAMVLODJXDQCST-UHFFFAOYSA-N
XLogP0.32
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 61275211) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is OAMVLODJXDQCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S2/c1-6(9-14-13-8-4-3-5-16(8)9)15-21(18,19)10-7(2)12-11(17)20-10/h6,15H,3-5H2,1-2H3,(H,12,17).
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 329.41 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61275211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).