4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine

C10H7N3S3 — CID 90885082

IUPAC4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1nc(Sc2nc3ccccc3s2)cs1
InChIInChI=1S/C10H7N3S3/c11-9-13-8(5-14-9)16-10-12-6-3-1-2-4-7(6)15-10/h1-5H,(H2,11,13)
InChIKeyMFHAJOKRVJBWBQ-UHFFFAOYSA-N
MW265.39 g/mol
LogP3.49
Rot. Bonds2

About 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine

4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 90885082) has the molecular formula C10H7N3S3 and a molecular weight of 265.39 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
PubChem CID90885082
Molecular FormulaC10H7N3S3
Molecular Weight265.39 g/mol
Exact Mass264.98
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
SMILESNc1nc(Sc2nc3ccccc3s2)cs1
InChIInChI=1S/C10H7N3S3/c11-9-13-8(5-14-9)16-10-12-6-3-1-2-4-7(6)15-10/h1-5H,(H2,11,13)
InChIKeyMFHAJOKRVJBWBQ-UHFFFAOYSA-N
XLogP3.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886924
4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine
CID 80924678
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 83156623
4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dichloroaniline
CID 106891279
2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 78843311
2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
2-[[6-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-2-pyridinyl]sulfanyl]-1,3-benzothiazole
CID 3391492
[6-(1,3-benzothiazol-2-ylsulfanyl)-3-pyridinyl]methanol
CID 80651110
2-(2-methylsulfanylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 11837199
3-(1,3-benzothiazol-2-ylsulfanyl)-5-fluoroaniline
CID 60875381
1-[2-(1,3-benzothiazol-2-ylsulfanyl)phenyl]ethanamine
CID 43189263
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine (CID 90885082) is 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine is Nc1nc(Sc2nc3ccccc3s2)cs1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is MFHAJOKRVJBWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S3/c11-9-13-8(5-14-9)16-10-12-6-3-1-2-4-7(6)15-10/h1-5H,(H2,11,13).
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine?
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 265.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 90885082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).