N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide

C13H11N5O2S2 — CID 141260719

IUPACN-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide
SMILESCOc1ccc(N(C=O)c2nnc(-c3snnc3C)s2)cc1
InChIInChI=1S/C13H11N5O2S2/c1-8-11(22-17-14-8)12-15-16-13(21-12)18(7-19)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3
InChIKeyCMAXGLJXQLVPBT-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.67
Rot. Bonds5

About N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide

N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide (PubChem CID 141260719) has the molecular formula C13H11N5O2S2 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide
PubChem CID141260719
Molecular FormulaC13H11N5O2S2
Molecular Weight333.40 g/mol
Exact Mass333.04
IUPAC NameN-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide
SMILESCOc1ccc(N(C=O)c2nnc(-c3snnc3C)s2)cc1
InChIInChI=1S/C13H11N5O2S2/c1-8-11(22-17-14-8)12-15-16-13(21-12)18(7-19)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3
InChIKeyCMAXGLJXQLVPBT-UHFFFAOYSA-N
XLogP2.67
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-methoxyphenyl)thiadiazole-4-carbaldehyde
CID 83910427
N-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-4-methylthiadiazol-5-amine
CID 39855388
1-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1-N-methylcyclobutane-1,3-diamine
CID 154864845
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105095522
2-(4-methoxyphenoxy)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 50960843
4-chloro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylbenzamide
CID 43811421
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxy-N-methylbenzamide
CID 108764475
2-cyclohexyl-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylacetamide
CID 3748819
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
4-methoxy-N-(4-methoxyphenyl)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)benzamide
CID 59650006

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide (CID 141260719) is N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide is COc1ccc(N(C=O)c2nnc(-c3snnc3C)s2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide?
The InChIKey is CMAXGLJXQLVPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S2/c1-8-11(22-17-14-8)12-15-16-13(21-12)18(7-19)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide?
N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide has a molecular weight of 333.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[5-(4-methylthiadiazol-5-yl)-1,3,4-thiadiazol-2-yl]formamide is sourced from PubChem (CID 141260719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).