N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide

C17H19N5OS — CID 154784788

IUPACN-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C17H19N5OS/c1-11-14(12(2)22(4)19-11)10-21(3)17(23)16-18-15(20-24-16)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3
InChIKeyPOOQPNQNUGSUDM-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.83
Rot. Bonds4

About N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide

N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide (PubChem CID 154784788) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide
PubChem CID154784788
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C17H19N5OS/c1-11-14(12(2)22(4)19-11)10-21(3)17(23)16-18-15(20-24-16)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3
InChIKeyPOOQPNQNUGSUDM-UHFFFAOYSA-N
XLogP2.83
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-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-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide (CID 154784788) is N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1nc(-c2ccccc2)ns1.
What is the InChIKey of N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is POOQPNQNUGSUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-14(12(2)22(4)19-11)10-21(3)17(23)16-18-15(20-24-16)13-8-6-5-7-9-13/h5-9H,10H2,1-4H3.
What are the key properties of N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide?
N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 154784788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).