N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide

C14H18N6OS — CID 14140431

IUPACN-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)Nc1nnc(-c2ccccc2C)s1
InChIInChI=1S/C14H18N6OS/c1-9-5-3-4-6-11(9)12-19-20-14(22-12)18-13(15)17-8-7-16-10(2)21/h3-6H,7-8H2,1-2H3,(H,16,21)(H3,15,17,18,20)
InChIKeyWBVDCRTXFYFIGS-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.38
Rot. Bonds5

About N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide

N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide (PubChem CID 14140431) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide
PubChem CID14140431
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC NameN-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)Nc1nnc(-c2ccccc2C)s1
InChIInChI=1S/C14H18N6OS/c1-9-5-3-4-6-11(9)12-19-20-14(22-12)18-13(15)17-8-7-16-10(2)21/h3-6H,7-8H2,1-2H3,(H,16,21)(H3,15,17,18,20)
InChIKeyWBVDCRTXFYFIGS-UHFFFAOYSA-N
XLogP1.38
TPSA105.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide 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-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide (CID 14140431) is N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide is CC(=O)NCC/N=C(\N)Nc1nnc(-c2ccccc2C)s1.
What is the InChIKey of N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide?
The InChIKey is WBVDCRTXFYFIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-9-5-3-4-6-11(9)12-19-20-14(22-12)18-13(15)17-8-7-16-10(2)21/h3-6H,7-8H2,1-2H3,(H,16,21)(H3,15,17,18,20).
What are the key properties of N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide?
N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide has a molecular weight of 318.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]amino]ethyl]acetamide is sourced from PubChem (CID 14140431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).