4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine

C10H8N4S3 — CID 62187667

IUPAC4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
SMILESNc1snnc1CSc1nc2ccccc2s1
InChIInChI=1S/C10H8N4S3/c11-9-7(13-14-17-9)5-15-10-12-6-3-1-2-4-8(6)16-10/h1-4H,5,11H2
InChIKeyUJTORHHCSCXYFO-UHFFFAOYSA-N
MW280.40 g/mol
LogP3.02
Rot. Bonds3

About 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine

4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine (PubChem CID 62187667) has the molecular formula C10H8N4S3 and a molecular weight of 280.40 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
PubChem CID62187667
Molecular FormulaC10H8N4S3
Molecular Weight280.40 g/mol
Exact Mass279.99
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine
SMILESNc1snnc1CSc1nc2ccccc2s1
InChIInChI=1S/C10H8N4S3/c11-9-7(13-14-17-9)5-15-10-12-6-3-1-2-4-8(6)16-10/h1-4H,5,11H2
InChIKeyUJTORHHCSCXYFO-UHFFFAOYSA-N
XLogP3.02
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 43530095
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine
CID 79260065
2-(quinolin-2-ylmethylsulfanyl)-1,3-benzothiazole
CID 6919192
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-chloroaniline
CID 62101103
2-(1,3-benzothiazol-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62187847
1,3-benzothiazol-2-ylsulfanylmethylurea
CID 67593162
2-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2,4,6-trimethylphenyl]methylsulfanyl]-1,3-benzothiazole
CID 4196112
3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrrole-2,5-diol
CID 54251376
2-[(4-butan-2-ylphenyl)methylsulfanyl]-1,3-benzothiazole
CID 59651448
2-(4-chlorobut-2-enylsulfanyl)-1,3-benzothiazole
CID 77051449
2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzonitrile
CID 575833

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine (CID 62187667) is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine is Nc1snnc1CSc1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine?
The InChIKey is UJTORHHCSCXYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S3/c11-9-7(13-14-17-9)5-15-10-12-6-3-1-2-4-8(6)16-10/h1-4H,5,11H2.
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine?
4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine has a molecular weight of 280.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62187667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).