N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline

C16H23N3S — CID 23462191

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline
SMILESCc1nnc(CNc2c(C(C)C)cccc2C(C)C)s1
InChIInChI=1S/C16H23N3S/c1-10(2)13-7-6-8-14(11(3)4)16(13)17-9-15-19-18-12(5)20-15/h6-8,10-11,17H,9H2,1-5H3
InChIKeyIOFUEODRVMKGJP-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.71
Rot. Bonds5

About N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline

N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline (PubChem CID 23462191) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline
PubChem CID23462191
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline
SMILESCc1nnc(CNc2c(C(C)C)cccc2C(C)C)s1
InChIInChI=1S/C16H23N3S/c1-10(2)13-7-6-8-14(11(3)4)16(13)17-9-15-19-18-12(5)20-15/h6-8,10-11,17H,9H2,1-5H3
InChIKeyIOFUEODRVMKGJP-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline 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-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline (CID 23462191) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline is Cc1nnc(CNc2c(C(C)C)cccc2C(C)C)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is IOFUEODRVMKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-10(2)13-7-6-8-14(11(3)4)16(13)17-9-15-19-18-12(5)20-15/h6-8,10-11,17H,9H2,1-5H3.
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 289.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 23462191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).