4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine

C12H11N3OS — CID 82105996

IUPAC4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine
SMILESCCc1cc(-c2csc(N)n2)cc2ncoc12
InChIInChI=1S/C12H11N3OS/c1-2-7-3-8(10-5-17-12(13)15-10)4-9-11(7)16-6-14-9/h3-6H,2H2,1H3,(H2,13,15)
InChIKeyDGVAQXHTINIEEH-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.10
Rot. Bonds2

About 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine

4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82105996) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82105996
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine
SMILESCCc1cc(-c2csc(N)n2)cc2ncoc12
InChIInChI=1S/C12H11N3OS/c1-2-7-3-8(10-5-17-12(13)15-10)4-9-11(7)16-6-14-9/h3-6H,2H2,1H3,(H2,13,15)
InChIKeyDGVAQXHTINIEEH-UHFFFAOYSA-N
XLogP3.10
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine
CID 82106027
4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine
CID 82497594
4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 3767969
4-[4-(dimethylamino)-3,5-difluorophenyl]-1,3-thiazol-2-amine
CID 121006255
4-(4-ethyl-2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 58442374
4-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 112562140
4-(3,5-dichloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 91362030
2-[3-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 28857104
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 57461655
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-amine
CID 3762953

Frequently Asked Questions

What is the IUPAC name of 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine (CID 82105996) is 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine is CCc1cc(-c2csc(N)n2)cc2ncoc12.
What is the InChIKey of 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is DGVAQXHTINIEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-7-3-8(10-5-17-12(13)15-10)4-9-11(7)16-6-14-9/h3-6H,2H2,1H3,(H2,13,15).
What are the key properties of 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine?
4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 245.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82105996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).