N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine

C14H20N2OS — CID 82548734

IUPACN-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(C)cc(OC)c(C(C)C)c2s1
InChIInChI=1S/C14H20N2OS/c1-6-15-14-16-12-9(4)7-10(17-5)11(8(2)3)13(12)18-14/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyNROZHWXRGXVLQV-UHFFFAOYSA-N
MW264.39 g/mol
LogP4.17
Rot. Bonds4

About N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine

N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 82548734) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID82548734
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2c(C)cc(OC)c(C(C)C)c2s1
InChIInChI=1S/C14H20N2OS/c1-6-15-14-16-12-9(4)7-10(17-5)11(8(2)3)13(12)18-14/h7-8H,6H2,1-5H3,(H,15,16)
InChIKeyNROZHWXRGXVLQV-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-7-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548748
N-(2-methoxyethyl)-4-methyl-7-propan-2-yl-6-propoxy-1,3-benzothiazol-2-amine
CID 82548720
4,7-dimethyl-6-propan-2-yloxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548668
N-benzyl-6-methoxy-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549040
6-methoxy-2,4-dimethyl-7-propan-2-yl-1H-benzimidazole
CID 169298302
5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
CID 82548641
6-ethoxy-N-ethyl-4-methyl-1,3-benzothiazol-2-amine
CID 82548822
N-ethyl-8-methoxy-5-methyl-2-propan-2-ylquinolin-4-amine
CID 55194431
4-methoxy-N-(2-methoxyethyl)-7-methyl-1,3-benzothiazol-2-amine
CID 82549536
6-ethoxy-N,4,7-trimethyl-1,3-benzothiazol-2-amine
CID 82548663
N-ethyl-6-methoxy-8-methyl-2-propan-2-ylquinolin-4-amine
CID 55196924
5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82548876

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine (CID 82548734) is N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine is CCNc1nc2c(C)cc(OC)c(C(C)C)c2s1.
What is the InChIKey of N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is NROZHWXRGXVLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-6-15-14-16-12-9(4)7-10(17-5)11(8(2)3)13(12)18-14/h7-8H,6H2,1-5H3,(H,15,16).
What are the key properties of N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine?
N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 264.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).