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

C14H15N7S3 — CID 133389043

IUPAC3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
SMILESCC(C)(C)c1cn2nc(Sc3nnc(-c4cccs4)n3N)sc2n1
InChIInChI=1S/C14H15N7S3/c1-14(2,3)9-7-20-11(16-9)23-13(19-20)24-12-18-17-10(21(12)15)8-5-4-6-22-8/h4-7H,15H2,1-3H3
InChIKeyGKMJHSKWOJHVAV-UHFFFAOYSA-N
MW377.52 g/mol
LogP3.27
Rot. Bonds3

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

3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine (PubChem CID 133389043) has the molecular formula C14H15N7S3 and a molecular weight of 377.52 g/mol. Its IUPAC name is 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-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-thiophen-2-yl-1,2,4-triazol-4-amine
PubChem CID133389043
Molecular FormulaC14H15N7S3
Molecular Weight377.52 g/mol
Exact Mass377.06
IUPAC Name3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
SMILESCC(C)(C)c1cn2nc(Sc3nnc(-c4cccs4)n3N)sc2n1
InChIInChI=1S/C14H15N7S3/c1-14(2,3)9-7-20-11(16-9)23-13(19-20)24-12-18-17-10(21(12)15)8-5-4-6-22-8/h4-7H,15H2,1-3H3
InChIKeyGKMJHSKWOJHVAV-UHFFFAOYSA-N
XLogP3.27
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 133492805
3-thiophen-2-yl-5-[6-(trifluoromethyl)pyridazin-3-yl]sulfanyl-1,2,4-triazol-4-amine
CID 133420658
3-thiophen-2-yl-5-[4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1,2,4-triazol-4-amine
CID 133369707
5-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-chloro-2-methylpyridazin-3-one
CID 133389044
4,5-dibromo-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole
CID 18707672
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 55354994
(2R)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 7300168
3-[(1R)-1-(4-fluorophenyl)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
CID 40881127
5-bromo-4-tert-butyl-2-[[4-(2-phenylethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1,3-thiazole
CID 18708184
3-tert-butyl-5-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
CID 133494786
2-methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068792
(2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 7272673

Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-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-thiophen-2-yl-1,2,4-triazol-4-amine (CID 133389043) is 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-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-thiophen-2-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-thiophen-2-yl-1,2,4-triazol-4-amine is CC(C)(C)c1cn2nc(Sc3nnc(-c4cccs4)n3N)sc2n1.
What is the InChIKey of 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine?
The InChIKey is GKMJHSKWOJHVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7S3/c1-14(2,3)9-7-20-11(16-9)23-13(19-20)24-12-18-17-10(21(12)15)8-5-4-6-22-8/h4-7H,15H2,1-3H3.
What are the key properties of 3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine?
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine has a molecular weight of 377.52 g/mol, XLogP of 3.27, 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-thiophen-2-yl-1,2,4-triazol-4-amine is sourced from PubChem (CID 133389043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).