N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide

C14H15N3O2S — CID 100751090

IUPACN-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC[C@H]1Cc2ccccc2CO1
InChIInChI=1S/C14H15N3O2S/c1-9-13(20-17-16-9)14(18)15-7-12-6-10-4-2-3-5-11(10)8-19-12/h2-5,12H,6-8H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyJZRCFVGJEBHOMX-GFCCVEGCSA-N
MW289.36 g/mol
LogP1.72
Rot. Bonds3

About N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide

N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 100751090) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID100751090
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC[C@H]1Cc2ccccc2CO1
InChIInChI=1S/C14H15N3O2S/c1-9-13(20-17-16-9)14(18)15-7-12-6-10-4-2-3-5-11(10)8-19-12/h2-5,12H,6-8H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyJZRCFVGJEBHOMX-GFCCVEGCSA-N
XLogP1.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide (CID 100751090) is N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC[C@H]1Cc2ccccc2CO1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is JZRCFVGJEBHOMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-13(20-17-16-9)14(18)15-7-12-6-10-4-2-3-5-11(10)8-19-12/h2-5,12H,6-8H2,1H3,(H,15,18)/t12-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide?
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 100751090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).