N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine

C14H16N6OS — CID 131909559

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCOCCn1cnnc1CNc1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H16N6OS/c1-21-8-7-20-10-16-17-12(20)9-15-14-19-18-13(22-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)
InChIKeyAUIATBMBJAEDOK-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.06
Rot. Bonds7

About N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 131909559) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID131909559
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCOCCn1cnnc1CNc1nnc(-c2ccccc2)s1
InChIInChI=1S/C14H16N6OS/c1-21-8-7-20-10-16-17-12(20)9-15-14-19-18-13(22-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19)
InChIKeyAUIATBMBJAEDOK-UHFFFAOYSA-N
XLogP2.06
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 72894851
2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2981012
2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3180986
2-[[4-ethyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 138592188
6-(4-Methylphenyl)-3-(morpholin-4-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 10335855
3-(4-Morpholinylmethyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 10380134
1-(5-Phenyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-propyl-1,2,4-triazol-3-yl)ethyl]urea
CID 45229590
6-(3-Methylphenyl)-3-(morpholin-4-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 47001353
[4-[3-(Methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]methanamine
CID 82048313
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86797568
2-methoxy-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
CID 114353286
2-[2-[3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-N-methylethanamine
CID 114355287

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine (CID 131909559) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine is COCCn1cnnc1CNc1nnc(-c2ccccc2)s1.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AUIATBMBJAEDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c1-21-8-7-20-10-16-17-12(20)9-15-14-19-18-13(22-14)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,19).
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 316.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 131909559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).