5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine

C10H11N3OS — CID 1383759

IUPAC5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C10H11N3OS/c1-11-10-13-12-9(15-10)7-3-5-8(14-2)6-4-7/h3-6H,1-2H3,(H,11,13)
InChIKeyUXCIZAXCEPLKGE-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.26
Rot. Bonds3

About 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 1383759) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID1383759
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C10H11N3OS/c1-11-10-13-12-9(15-10)7-3-5-8(14-2)6-4-7/h3-6H,1-2H3,(H,11,13)
InChIKeyUXCIZAXCEPLKGE-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine 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)-1,3,4-thiadiazol-2-amine
CID 692882
5-[(4-Methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 800231
methyl N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1382112
5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 748318
2-methylpropyl [(2E)-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 665124
methyl [(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 666511
N-ethyl-5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 2174397
5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 659660
2-(4-Ethylpiperazin-1-yl)-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 53324466
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
CID 1385839
5-(4-Ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 792657
5-(3-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 819785

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 1383759) is 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UXCIZAXCEPLKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-11-10-13-12-9(15-10)7-3-5-8(14-2)6-4-7/h3-6H,1-2H3,(H,11,13).
What are the key properties of 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 221.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1383759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).