7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine

C13H12ClN3OS — CID 106375161

IUPAC7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCCc1cnc(CNc2nc3cccc(Cl)c3s2)o1
InChIInChI=1S/C13H12ClN3OS/c1-2-8-6-15-11(18-8)7-16-13-17-10-5-3-4-9(14)12(10)19-13/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyIQZXUDWAWXFQJN-UHFFFAOYSA-N
MW293.78 g/mol
LogP4.11
Rot. Bonds4

About 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine

7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 106375161) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID106375161
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCCc1cnc(CNc2nc3cccc(Cl)c3s2)o1
InChIInChI=1S/C13H12ClN3OS/c1-2-8-6-15-11(18-8)7-16-13-17-10-5-3-4-9(14)12(10)19-13/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyIQZXUDWAWXFQJN-UHFFFAOYSA-N
XLogP4.11
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile
CID 106373504
7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 82741856
7-chloro-N-[(1-methylimidazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 55171385
2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 106378320
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
6-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carboxylic acid
CID 114180453
1-(5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275355
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
4-[[(7-chloro-1,3-benzothiazol-2-yl)amino]methyl]benzonitrile
CID 62268603

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 106375161) is 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine is CCc1cnc(CNc2nc3cccc(Cl)c3s2)o1.
What is the InChIKey of 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is IQZXUDWAWXFQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-2-8-6-15-11(18-8)7-16-13-17-10-5-3-4-9(14)12(10)19-13/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 293.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106375161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).