6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine

C16H21N3OS — CID 177304783

IUPAC6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
SMILESCCNC1(c2cccc(OC)c2)CCc2nc(N)sc2C1
InChIInChI=1S/C16H21N3OS/c1-3-18-16(11-5-4-6-12(9-11)20-2)8-7-13-14(10-16)21-15(17)19-13/h4-6,9,18H,3,7-8,10H2,1-2H3,(H2,17,19)
InChIKeyPLKWEDMCTLZHEJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.73
Rot. Bonds4

About 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine

6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine (PubChem CID 177304783) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
PubChem CID177304783
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
SMILESCCNC1(c2cccc(OC)c2)CCc2nc(N)sc2C1
InChIInChI=1S/C16H21N3OS/c1-3-18-16(11-5-4-6-12(9-11)20-2)8-7-13-14(10-16)21-15(17)19-13/h4-6,9,18H,3,7-8,10H2,1-2H3,(H2,17,19)
InChIKeyPLKWEDMCTLZHEJ-UHFFFAOYSA-N
XLogP2.73
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine with MolForge

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Related Compounds

2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
CID 177304859
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
6-methoxy-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-2-amine
CID 177359983
(6R)-6-(ethylamino)-6-(3-methoxyphenyl)cyclohex-2-en-1-one
CID 142560385
2-amino-6-ethoxy-5,7-dihydro-4H-1,3-benzothiazol-6-ol
CID 163579006
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
N-ethyl-7-methoxy-1-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79235672
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-1,3-dihydroinden-2-amine
CID 61332218
[4-(2,6-diamino-5,7-dihydro-4H-1,3-benzothiazol-6-yl)phenyl]methanol
CID 177304827
6-(2,3-dichlorophenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
CID 177304851
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875841

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine (CID 177304783) is 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine is CCNC1(c2cccc(OC)c2)CCc2nc(N)sc2C1.
What is the InChIKey of 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
The InChIKey is PLKWEDMCTLZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-18-16(11-5-4-6-12(9-11)20-2)8-7-13-14(10-16)21-15(17)19-13/h4-6,9,18H,3,7-8,10H2,1-2H3,(H2,17,19).
What are the key properties of 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine has a molecular weight of 303.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 177304783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).