N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine

C20H22N4OS2 — CID 46879562

IUPACN-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(NCCc3ccc(NC4=NCCCS4)cc3)nc12
InChIInChI=1S/C20H22N4OS2/c1-25-16-4-2-5-17-18(16)24-20(27-17)22-12-10-14-6-8-15(9-7-14)23-19-21-11-3-13-26-19/h2,4-9H,3,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyZZUFVJDESDKPSZ-UHFFFAOYSA-N
MW398.56 g/mol
LogP4.86
Rot. Bonds6

About N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine

N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine (PubChem CID 46879562) has the molecular formula C20H22N4OS2 and a molecular weight of 398.56 g/mol. Its IUPAC name is N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine
PubChem CID46879562
Molecular FormulaC20H22N4OS2
Molecular Weight398.56 g/mol
Exact Mass398.12
IUPAC NameN-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cccc2sc(NCCc3ccc(NC4=NCCCS4)cc3)nc12
InChIInChI=1S/C20H22N4OS2/c1-25-16-4-2-5-17-18(16)24-20(27-17)22-12-10-14-6-8-15(9-7-14)23-19-21-11-3-13-26-19/h2,4-9H,3,10-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyZZUFVJDESDKPSZ-UHFFFAOYSA-N
XLogP4.86
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 46879453
4-methoxy-N-[2-[4-[(4-propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 58627873
5,6-dichloro-N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 46879646
N-[2-[4-[(4,4-dimethyl-5H-1,3-thiazol-2-yl)amino]phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 58628055
4,7-dimethoxy-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82549487
N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-1,3-benzothiazol-2-amine
CID 155801332
4-methoxy-N-[(4-methylsulfinylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 86782892
N-(2-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345497
4-methoxy-N-(1,3-thiazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 75498214
N-[2-[4-[[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 46879650
4-N-(5,6-dihydro-4H-1,3-thiazin-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17338742
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine (CID 46879562) is N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine is COc1cccc2sc(NCCc3ccc(NC4=NCCCS4)cc3)nc12.
What is the InChIKey of N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is ZZUFVJDESDKPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS2/c1-25-16-4-2-5-17-18(16)24-20(27-17)22-12-10-14-6-8-15(9-7-14)23-19-21-11-3-13-26-19/h2,4-9H,3,10-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine?
N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 398.56 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-4-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46879562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).