2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine

C12H16N2OS — CID 103157445

IUPAC2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCOC(CN)Cc1nc2c(C)cccc2s1
InChIInChI=1S/C12H16N2OS/c1-8-4-3-5-10-12(8)14-11(16-10)6-9(7-13)15-2/h3-5,9H,6-7,13H2,1-2H3
InChIKeyLYVGMDIDKOOIDT-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.12
Rot. Bonds4

About 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine

2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine (PubChem CID 103157445) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
PubChem CID103157445
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
SMILESCOC(CN)Cc1nc2c(C)cccc2s1
InChIInChI=1S/C12H16N2OS/c1-8-4-3-5-10-12(8)14-11(16-10)6-9(7-13)15-2/h3-5,9H,6-7,13H2,1-2H3
InChIKeyLYVGMDIDKOOIDT-UHFFFAOYSA-N
XLogP2.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106914
4-[1-(4-methyl-1,3-benzothiazol-2-yl)propan-2-yl]aniline
CID 104503124
ethane;2-ethyl-4-methyl-1,3-benzothiazole
CID 91212419
3-(7-chloro-1,3-benzothiazol-2-yl)-2-methoxypropan-1-amine
CID 103157437
2-methoxy-N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79271660
2-(3-chloropropyl)-4-methyl-1,3-benzothiazole
CID 79147271
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79146362
2-[2-(4-methyl-1,3-benzothiazol-2-yl)ethyl]aniline
CID 107273677
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]cyclopropanamine
CID 79146631
2,2,2-trifluoro-N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79257764
[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79146804
bis(4-methyl-1,3-benzothiazol-2-yl)diazene
CID 154148255

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine (CID 103157445) is 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine is COC(CN)Cc1nc2c(C)cccc2s1.
What is the InChIKey of 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine?
The InChIKey is LYVGMDIDKOOIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-4-3-5-10-12(8)14-11(16-10)6-9(7-13)15-2/h3-5,9H,6-7,13H2,1-2H3.
What are the key properties of 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine?
2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-methyl-1,3-benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 103157445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).