6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one

C14H15N3O2S — CID 82103001

IUPAC6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESCNCCc1nc(-c2ccc3[nH]c(=O)oc3c2)c(C)s1
InChIInChI=1S/C14H15N3O2S/c1-8-13(17-12(20-8)5-6-15-2)9-3-4-10-11(7-9)19-14(18)16-10/h3-4,7,15H,5-6H2,1-2H3,(H,16,18)
InChIKeyGVRGKOJFJVWTAC-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.31
Rot. Bonds4

About 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one

6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 82103001) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
PubChem CID82103001
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
SMILESCNCCc1nc(-c2ccc3[nH]c(=O)oc3c2)c(C)s1
InChIInChI=1S/C14H15N3O2S/c1-8-13(17-12(20-8)5-6-15-2)9-3-4-10-11(7-9)19-14(18)16-10/h3-4,7,15H,5-6H2,1-2H3,(H,16,18)
InChIKeyGVRGKOJFJVWTAC-UHFFFAOYSA-N
XLogP2.31
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 98033764
2-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-N-methylethanamine
CID 82103000
5-methyl-4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carbaldehyde
CID 116867302
6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one
CID 39197288
2,3-dimethyl-6-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39200863
N-[5-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]propanamide
CID 82342362
6-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-3H-1,3-benzoxazol-2-one
CID 82360074
6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 84567419
6-[2-(methylamino)-1,3-oxazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 116832547
N-[2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropanamine
CID 82103043
6-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 17456976
2-[2-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 39200811

Frequently Asked Questions

What is the IUPAC name of 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one (CID 82103001) is 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one is CNCCc1nc(-c2ccc3[nH]c(=O)oc3c2)c(C)s1.
What is the InChIKey of 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is GVRGKOJFJVWTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-13(17-12(20-8)5-6-15-2)9-3-4-10-11(7-9)19-14(18)16-10/h3-4,7,15H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one?
6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 289.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-methyl-2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 82103001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).