2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C17H21FN2S — CID 107931877

IUPAC2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(-c3cc(C)ccc3F)nc21
InChIInChI=1S/C17H21FN2S/c1-3-9-19-14-5-4-6-15-16(14)20-17(21-15)12-10-11(2)7-8-13(12)18/h7-8,10,14,19H,3-6,9H2,1-2H3
InChIKeyZQSSMENJQBASKQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.63
Rot. Bonds4

About 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 107931877) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID107931877
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(-c3cc(C)ccc3F)nc21
InChIInChI=1S/C17H21FN2S/c1-3-9-19-14-5-4-6-15-16(14)20-17(21-15)12-10-11(2)7-8-13(12)18/h7-8,10,14,19H,3-6,9H2,1-2H3
InChIKeyZQSSMENJQBASKQ-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976016
2-(3,4-dichlorophenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976478
2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 115528200
N-propyl-2-pyrimidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976044
1-[4-cyclopropyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107932051
2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 114938177
2-cyclobutyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984578
2-cyclooctyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80609684
2-(4-fluoro-2-methylphenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 81278243
2-(2-bromo-3,4-difluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 107539603
N-propyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 79965102
N-ethyl-2-(5-ethylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976596

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 107931877) is 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCCNC1CCCc2sc(-c3cc(C)ccc3F)nc21.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is ZQSSMENJQBASKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-3-9-19-14-5-4-6-15-16(14)20-17(21-15)12-10-11(2)7-8-13(12)18/h7-8,10,14,19H,3-6,9H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 304.43 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 107931877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).