5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine

C14H20N2OS — CID 82548876

IUPAC5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine
SMILESCCNc1nc2cc(C(C)(C)C)c(OC)cc2s1
InChIInChI=1S/C14H20N2OS/c1-6-15-13-16-10-7-9(14(2,3)4)11(17-5)8-12(10)18-13/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyUPUPXDITWRQKSO-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.03
Rot. Bonds3

About 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine

5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 82548876) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID82548876
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine
SMILESCCNc1nc2cc(C(C)(C)C)c(OC)cc2s1
InChIInChI=1S/C14H20N2OS/c1-6-15-13-16-10-7-9(14(2,3)4)11(17-5)8-12(10)18-13/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyUPUPXDITWRQKSO-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine
CID 82549231
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 24600021
N,5-diethyl-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine
CID 82548907
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
5-tert-butyl-6-propan-2-yloxy-1,3-benzothiazol-2-amine
CID 82549880
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
1-[2-(ethylamino)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-5-yl]ethanone
CID 82549104
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 8544319
2-(ethylamino)-N-hydroxy-1,3-benzothiazol-5-amine oxide
CID 163117789
N-(6-bromo-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968857
6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
CID 82548714
N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine
CID 12741815

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine (CID 82548876) is 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine is CCNc1nc2cc(C(C)(C)C)c(OC)cc2s1.
What is the InChIKey of 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is UPUPXDITWRQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-6-15-13-16-10-7-9(14(2,3)4)11(17-5)8-12(10)18-13/h7-8H,6H2,1-5H3,(H,15,16).
What are the key properties of 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine?
5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 264.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).