2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine

C11H9N3OS — CID 65199108

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine
SMILESCc1nc(-c2nc3ccc(N)cc3o2)cs1
InChIInChI=1S/C11H9N3OS/c1-6-13-9(5-16-6)11-14-8-3-2-7(12)4-10(8)15-11/h2-5H,12H2,1H3
InChIKeyARQLMHVPVWCJNA-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.84
Rot. Bonds1

About 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine

2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine (PubChem CID 65199108) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine
PubChem CID65199108
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine
SMILESCc1nc(-c2nc3ccc(N)cc3o2)cs1
InChIInChI=1S/C11H9N3OS/c1-6-13-9(5-16-6)11-14-8-3-2-7(12)4-10(8)15-11/h2-5H,12H2,1H3
InChIKeyARQLMHVPVWCJNA-UHFFFAOYSA-N
XLogP2.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1,3-benzoxazol-6-amine
CID 590539
{4-[(1,3-Benzoxazol-2-ylsulfanyl)methyl]-1,3-thiazol-2-yl}acetonitrile
CID 914556
2-(1,3-Benzothiazol-2-ylmethylsulfanyl)-1,3-benzoxazole
CID 2367151
2-(Thiophen-2-yl)benzo[d]oxazole
CID 11401408
2-Methyl-1,3-benzoxazol-4-amine
CID 10606897
4-thiazolidinone, 2-(2-benzoxazolylmethylene)-, (2E)-
CID 135399634
N-(2-methyl-1,3-benzoxazol-6-yl)methanesulfonamide
CID 1472995
2-Ethyl-1,3-benzoxazol-4-amine
CID 12071589
Benzoxazol-6-amine, 2-(4-methylphenyl)-N-(2-thienylmethyl)-
CID 566492
Methyl 2-{[(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino}thiophene-3-carboxylate
CID 6467791
6-Nitro-2-(phenylsulfanylmethyl)-1,3-benzoxazole
CID 11471691
6-Isothiocyanato-2-(thiophen-2-yl)-1,3-benzoxazole
CID 12781917

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine (CID 65199108) is 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine is Cc1nc(-c2nc3ccc(N)cc3o2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine?
The InChIKey is ARQLMHVPVWCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-6-13-9(5-16-6)11-14-8-3-2-7(12)4-10(8)15-11/h2-5H,12H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine?
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine has a molecular weight of 231.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 65199108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).