3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine

C15H17N7OS2 — CID 133374454

IUPAC3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
SMILESCc1occc1-c1nnc(Sc2nn3cc(C(C)(C)C)nc3s2)n1N
InChIInChI=1S/C15H17N7OS2/c1-8-9(5-6-23-8)11-18-19-13(22(11)16)25-14-20-21-7-10(15(2,3)4)17-12(21)24-14/h5-7H,16H2,1-4H3
InChIKeyOYNWTXDYALCDMA-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.11
Rot. Bonds3

About 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine

3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine (PubChem CID 133374454) has the molecular formula C15H17N7OS2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
PubChem CID133374454
Molecular FormulaC15H17N7OS2
Molecular Weight375.48 g/mol
Exact Mass375.09
IUPAC Name3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
SMILESCc1occc1-c1nnc(Sc2nn3cc(C(C)(C)C)nc3s2)n1N
InChIInChI=1S/C15H17N7OS2/c1-8-9(5-6-23-8)11-18-19-13(22(11)16)25-14-20-21-7-10(15(2,3)4)17-12(21)24-14/h5-7H,16H2,1-4H3
InChIKeyOYNWTXDYALCDMA-UHFFFAOYSA-N
XLogP3.11
TPSA100.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 133389043
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
CID 133369427
3-(2-methylfuran-3-yl)-5-(4-methylpyrimidin-2-yl)sulfanyl-1,2,4-triazol-4-amine
CID 133374393
3-(5-bromopyrimidin-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine
CID 133374447
3-(2-methylfuran-3-yl)-5-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)sulfanyl]-1,2,4-triazol-4-amine
CID 133472602
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 29388147
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carbonitrile
CID 133374433
3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]pyrazine-2-carbonitrile
CID 133374396
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzonitrile
CID 133374468
3-(2-methylfuran-3-yl)-5-(3-methyl-4-nitrophenyl)sulfanyl-1,2,4-triazol-4-amine
CID 133443770
3-(2-methylfuran-3-yl)-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 36752749
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133374442

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine (CID 133374454) is 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine is Cc1occc1-c1nnc(Sc2nn3cc(C(C)(C)C)nc3s2)n1N.
What is the InChIKey of 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
The InChIKey is OYNWTXDYALCDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7OS2/c1-8-9(5-6-23-8)11-18-19-13(22(11)16)25-14-20-21-7-10(15(2,3)4)17-12(21)24-14/h5-7H,16H2,1-4H3.
What are the key properties of 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine?
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine has a molecular weight of 375.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 133374454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).