N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine

C17H26N2O2S — CID 82548720

IUPACN-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1cc(C)c2nc(NCCOC)sc2c1C(C)C
InChIInChI=1S/C17H26N2O2S/c1-6-8-21-13-10-12(4)15-16(14(13)11(2)3)22-17(19-15)18-7-9-20-5/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyNYAHPHUTGLWIMM-UHFFFAOYSA-N
MW322.47 g/mol
LogP4.58
Rot. Bonds8

About N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine

N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine (PubChem CID 82548720) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine
PubChem CID82548720
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine
SMILESCCCOc1cc(C)c2nc(NCCOC)sc2c1C(C)C
InChIInChI=1S/C17H26N2O2S/c1-6-8-21-13-10-12(4)15-16(14(13)11(2)3)22-17(19-15)18-7-9-20-5/h10-11H,6-9H2,1-5H3,(H,18,19)
InChIKeyNYAHPHUTGLWIMM-UHFFFAOYSA-N
XLogP4.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548748
N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
CID 82548734
4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548668
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
6-chloro-N-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 82549477
5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine
CID 82548972
6-ethoxy-4,7-dimethyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548656
5-butan-2-yl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 116812434
6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
CID 82548663
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548547
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine (CID 82548720) is N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine is CCCOc1cc(C)c2nc(NCCOC)sc2c1C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine?
The InChIKey is NYAHPHUTGLWIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-6-8-21-13-10-12(4)15-16(14(13)11(2)3)22-17(19-15)18-7-9-20-5/h10-11H,6-9H2,1-5H3,(H,18,19).
What are the key properties of N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine?
N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine has a molecular weight of 322.47 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).