2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine

C11H9N3OS2 — CID 61371809

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine
SMILESCc1csc(Sc2nc3cc(N)ccc3o2)n1
InChIInChI=1S/C11H9N3OS2/c1-6-5-16-11(13-6)17-10-14-8-4-7(12)2-3-9(8)15-10/h2-5H,12H2,1H3
InChIKeyNKUJXAZMLMFGKB-UHFFFAOYSA-N
MW263.35 g/mol
LogP3.33
Rot. Bonds2

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine (PubChem CID 61371809) has the molecular formula C11H9N3OS2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine
PubChem CID61371809
Molecular FormulaC11H9N3OS2
Molecular Weight263.35 g/mol
Exact Mass263.02
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine
SMILESCc1csc(Sc2nc3cc(N)ccc3o2)n1
InChIInChI=1S/C11H9N3OS2/c1-6-5-16-11(13-6)17-10-14-8-4-7(12)2-3-9(8)15-10/h2-5H,12H2,1H3
InChIKeyNKUJXAZMLMFGKB-UHFFFAOYSA-N
XLogP3.33
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine
CID 65274783
4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-2-methyl-1H-pyrimidin-6-one
CID 114585563
3-iodo-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline
CID 66094627
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-5-methylbenzonitrile
CID 107931886
2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-1H-pyrimidin-6-one
CID 79891059
N-[4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]phenyl]acetamide
CID 79881629
3-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]butan-2-ol
CID 107770293
2-[(2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzoxazol-5-amine
CID 62549155
2-(6-propylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-5-amine
CID 61370820
4-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-2-ethyl-1H-pyrimidin-6-one
CID 114585562
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,3-benzoxazol-6-amine
CID 79883182
3-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 79890299

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine (CID 61371809) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine is Cc1csc(Sc2nc3cc(N)ccc3o2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine?
The InChIKey is NKUJXAZMLMFGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS2/c1-6-5-16-11(13-6)17-10-14-8-4-7(12)2-3-9(8)15-10/h2-5H,12H2,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine has a molecular weight of 263.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 61371809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).