N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine

C16H13N7OS2 — CID 17466081

IUPACN-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(Nc2nnc(Sc3nnnn3-c3ccccc3)s2)c1
InChIInChI=1S/C16H13N7OS2/c1-24-13-9-5-6-11(10-13)17-14-18-20-16(25-14)26-15-19-21-22-23(15)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18)
InChIKeyGCJQJBXXDFXLPB-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.42
Rot. Bonds6

About N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine

N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 17466081) has the molecular formula C16H13N7OS2 and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID17466081
Molecular FormulaC16H13N7OS2
Molecular Weight383.46 g/mol
Exact Mass383.06
IUPAC NameN-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(Nc2nnc(Sc3nnnn3-c3ccccc3)s2)c1
InChIInChI=1S/C16H13N7OS2/c1-24-13-9-5-6-11(10-13)17-14-18-20-16(25-14)26-15-19-21-22-23(15)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18)
InChIKeyGCJQJBXXDFXLPB-UHFFFAOYSA-N
XLogP3.42
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-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

N-(3-methoxyphenyl)-5-[1-(1-phenyltetrazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 46435061
1-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one
CID 2559461
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 16518911
2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 2536033
N-(3-fluorophenyl)-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 27748517
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 7257922
5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 56584890
3-chloro-5-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133425500
(1R,2R)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2,3-dihydro-1H-inden-1-ol
CID 25362098
propan-2-yl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7274771
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132766
(2S)-N-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464728

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 17466081) is N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine is COc1cccc(Nc2nnc(Sc3nnnn3-c3ccccc3)s2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is GCJQJBXXDFXLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7OS2/c1-24-13-9-5-6-11(10-13)17-14-18-20-16(25-14)26-15-19-21-22-23(15)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18).
What are the key properties of N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 383.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17466081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).