N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine

C16H16N2OS — CID 103818846

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine
SMILESCOc1ccc(CNc2ccc3ncsc3c2)cc1C
InChIInChI=1S/C16H16N2OS/c1-11-7-12(3-6-15(11)19-2)9-17-13-4-5-14-16(8-13)20-10-18-14/h3-8,10,17H,9H2,1-2H3
InChIKeyHUIHHQCSRLNMSJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.23
Rot. Bonds4

About N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine

N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 103818846) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine
PubChem CID103818846
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine
SMILESCOc1ccc(CNc2ccc3ncsc3c2)cc1C
InChIInChI=1S/C16H16N2OS/c1-11-7-12(3-6-15(11)19-2)9-17-13-4-5-14-16(8-13)20-10-18-14/h3-8,10,17H,9H2,1-2H3
InChIKeyHUIHHQCSRLNMSJ-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874
5-[(1,3-benzothiazol-6-ylamino)methyl]-2-bromo-3-methoxyphenol
CID 86579946
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803867
4-[(1,3-benzothiazol-6-ylamino)methyl]-2-fluorophenol
CID 107803700
N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 103731094
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
3-bromo-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43762883
3-ethoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 60935106
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 43759194

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine (CID 103818846) is N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine is COc1ccc(CNc2ccc3ncsc3c2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is HUIHHQCSRLNMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-7-12(3-6-15(11)19-2)9-17-13-4-5-14-16(8-13)20-10-18-14/h3-8,10,17H,9H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 284.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103818846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).