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

C12H14ClN3OS — CID 61037923

IUPAC5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C12H14ClN3OS/c1-3-6-14-12-16-15-11(18-12)9-7-8(13)4-5-10(9)17-2/h4-5,7H,3,6H2,1-2H3,(H,14,16)
InChIKeyPLPRHEKHFYYBGN-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.69
Rot. Bonds5

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

5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 61037923) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID61037923
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(-c2cc(Cl)ccc2OC)s1
InChIInChI=1S/C12H14ClN3OS/c1-3-6-14-12-16-15-11(18-12)9-7-8(13)4-5-10(9)17-2/h4-5,7H,3,6H2,1-2H3,(H,14,16)
InChIKeyPLPRHEKHFYYBGN-UHFFFAOYSA-N
XLogP3.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-2-methoxyphenyl)-N-propyl-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-(2,5-dichlorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 61036809
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 79742623
5-(2-methoxy-4,6-dimethylphenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106681518
2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole
CID 63386396
N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408414
N-[[3-(5-chloro-2-methoxyphenyl)furan-2-yl]methyl]propan-1-amine
CID 106886805
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
N-(4-chloro-2-iodophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107631539
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
4-(5-fluoro-2-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962681
5-(5-chloro-2-methoxyphenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596709
5-(4-aminophenyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 5270660

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 61037923) is 5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(-c2cc(Cl)ccc2OC)s1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PLPRHEKHFYYBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-3-6-14-12-16-15-11(18-12)9-7-8(13)4-5-10(9)17-2/h4-5,7H,3,6H2,1-2H3,(H,14,16).
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 283.78 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 61037923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).