4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine

C13H11N3OS — CID 117396578

IUPAC4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc2sc(C3CC3)nc2c1
InChIInChI=1S/C13H11N3OS/c14-12-9(6-15-17-12)8-3-4-11-10(5-8)16-13(18-11)7-1-2-7/h3-7H,1-2,14H2
InChIKeyYDTXANHYJMFURG-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.41
Rot. Bonds2

About 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine

4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine (PubChem CID 117396578) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
PubChem CID117396578
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc2sc(C3CC3)nc2c1
InChIInChI=1S/C13H11N3OS/c14-12-9(6-15-17-12)8-3-4-11-10(5-8)16-13(18-11)7-1-2-7/h3-7H,1-2,14H2
InChIKeyYDTXANHYJMFURG-UHFFFAOYSA-N
XLogP3.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,2-oxazol-3-amine
CID 117396570
5-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1H-pyrazol-3-amine
CID 117394421
4-(3-cyclopentylphenyl)-1,2-oxazol-5-amine
CID 117329061
4-(1,3-benzoxathiol-5-yl)-1,2-oxazol-5-amine
CID 117314072
4-(1,3-benzoxazol-5-yl)-1,2-oxazol-5-amine
CID 117289787
2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
CID 84696103
(E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine
CID 117332982
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909
4-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)-1,2-oxazol-5-amine
CID 117336621
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
4-[4-(1-methylpiperidin-4-yl)phenyl]-1,2-oxazol-5-amine
CID 117396976
2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
CID 166963509

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine (CID 117396578) is 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1ccc2sc(C3CC3)nc2c1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine?
The InChIKey is YDTXANHYJMFURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-12-9(6-15-17-12)8-3-4-11-10(5-8)16-13(18-11)7-1-2-7/h3-7H,1-2,14H2.
What are the key properties of 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine?
4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine has a molecular weight of 257.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117396578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).