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

C16H21N3OS — CID 177304859

IUPAC2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
SMILESCCNc1nc2c(s1)CC(N)(c1cccc(OC)c1)CC2
InChIInChI=1S/C16H21N3OS/c1-3-18-15-19-13-7-8-16(17,10-14(13)21-15)11-5-4-6-12(9-11)20-2/h4-6,9H,3,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyQBOLQGYPOROILR-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.93
Rot. Bonds4

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

2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine (PubChem CID 177304859) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
PubChem CID177304859
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
SMILESCCNc1nc2c(s1)CC(N)(c1cccc(OC)c1)CC2
InChIInChI=1S/C16H21N3OS/c1-3-18-15-19-13-7-8-16(17,10-14(13)21-15)11-5-4-6-12(9-11)20-2/h4-6,9H,3,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyQBOLQGYPOROILR-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine
CID 177304783
6-(3-methoxyphenyl)-1,4,5,7-tetrahydroindazol-6-amine
CID 177304938
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
6-amino-6-(3-ethoxyphenyl)-3,4,5,7-tetrahydro-1,3-benzothiazol-2-one;hydrochloride
CID 177304804
1-[3-(4-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 167713468
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692869
2-(3-methoxyphenyl)-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 43593374
N-ethyl-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65269206
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 115034038

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine (CID 177304859) is 2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine is CCNc1nc2c(s1)CC(N)(c1cccc(OC)c1)CC2.
What is the InChIKey of 2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
The InChIKey is QBOLQGYPOROILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-18-15-19-13-7-8-16(17,10-14(13)21-15)11-5-4-6-12(9-11)20-2/h4-6,9H,3,7-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine?
2-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 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-(3-methoxyphenyl)-5,7-dihydro-4H-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 177304859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).