5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C8H7N5S3 — CID 52558692

IUPAC5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cn3ccsc3n2)s1
InChIInChI=1S/C8H7N5S3/c9-6-11-12-8(16-6)15-4-5-3-13-1-2-14-7(13)10-5/h1-3H,4H2,(H2,9,11)
InChIKeyDUIZCHLNFHDTFR-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.12
Rot. Bonds3

About 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 52558692) has the molecular formula C8H7N5S3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID52558692
Molecular FormulaC8H7N5S3
Molecular Weight269.38 g/mol
Exact Mass268.99
IUPAC Name5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(SCc2cn3ccsc3n2)s1
InChIInChI=1S/C8H7N5S3/c9-6-11-12-8(16-6)15-4-5-3-13-1-2-14-7(13)10-5/h1-3H,4H2,(H2,9,11)
InChIKeyDUIZCHLNFHDTFR-UHFFFAOYSA-N
XLogP2.12
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 52830020
1-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)phenyl]ethanamine
CID 115334592
5-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332020
4-chloro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)aniline
CID 115332050
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
[5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 115332032
trifluoro(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)boranuide
CID 115334554
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)triazol-4-amine
CID 115335312
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 76851866
5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 130884607

Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 52558692) is 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(SCc2cn3ccsc3n2)s1.
What is the InChIKey of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DUIZCHLNFHDTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5S3/c9-6-11-12-8(16-6)15-4-5-3-13-1-2-14-7(13)10-5/h1-3H,4H2,(H2,9,11).
What are the key properties of 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 269.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 52558692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).